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  34. <h1 class="suptitle">supplementary materials</h1>
    35. 

  35. 

  36. <br/>
    37. 

  37. <div class="buttonlinks"><a href="./index.html" target="_parent"><img src="../../../../../graphics/htmlborder.gif" alt="HTML version" align="top" border="0"/></a><a href="./at2651.pdf"><img src="../../../../../graphics/pdfborder.gif" alt="pdf version" align="top" border="0"/></a><a href="http://scripts.iucr.org/cgi-bin/sendcif?at2651sup1"><img src="../../../../../graphics/cifborder.gif" alt="cif file" align="top" border="0"/></a><a href="http://scripts.iucr.org/cgi-bin/sendcif?at2651sup1&amp;Qmime=cif">
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    39. 

  39. <img src="../../../../../graphics/similarpapersborder.gif" alt="similar papers" align="top" border="0"/></a> <a href="../../../../../../services/openaccess.html"><img src="../../../../../../logos/free.gif" alt="Open access" align="top" border="0"/></a></div>
    40. 

  40. 

  41. <p class="scheme"><img src="./at2651contents.gif" alt="at2651 scheme"/></p>
    42. 

  42. 

  43. <div class="bibline">
    44. 

  44. <p><i>Acta Cryst.</i> (2008). E<b>64</b>,
    45. 

  45. m1495    [ <a title="Open URL link" href="http://dx.doi.org/10.1107/S1600536808035368">doi:10.1107/S1600536808035368</a>
    46. 

  46. ]</p>
    47. 

  47. </div>
    48. 

  48. 

  49. <h3>Bis{2-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato-<img alt="[kappa]" border="0" src="/logos/entities/kappa_rmgif.gif"/><span class="it"><i>O</i></span><span class="sup"><sup>1</sup></span>}bis(thiocyanato-<img alt="[kappa]" border="0" src="/logos/entities/kappa_rmgif.gif"/><span class="it"><i>N</i></span>)zinc(II)</h3>
    50. 

  50. 

  51. <h3><a href="http://scripts.iucr.org/cgi-bin/citedin?search_on=name&amp;author_name=Li,%20H.-Q.">
    52. 

  52. H.-Q. Li</a>, <a href="http://scripts.iucr.org/cgi-bin/citedin?search_on=name&amp;author_name=Xian,%20H.-D.">
    53. 

  53. H.-D. Xian</a>, <a href="http://scripts.iucr.org/cgi-bin/citedin?search_on=name&amp;author_name=Liu,%20J.-F.">
    54. 

  54. J.-F. Liu</a> and <a href="http://scripts.iucr.org/cgi-bin/citedin?search_on=name&amp;author_name=Zhao,%20G.-L.">
    55. 

  55. G.-L. Zhao</a></h3>
    56. 

  56. 

  57. <div class="abstract"><a id="abstract" name="abstract"/> 
    58. 

  58. 

  59. <div class="heading2">Abstract <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    60. 

  60. </div>
    61. 

  61. 

  62. <!-- endheading2div -->
    63. 

  63. <p>The Schiff base 2-[(4-methylphenyl)iminomethyl]-6-methoxyphenol
    64. 

  64. (H<span class="it"><i>L</i></span>) forms a complex with a Zn<span class="sup"><sup>2+</sup></span> atom and two independent
    65. 

  65. thiocyanate ions, [Zn(NCS)<span class="inf"><sub>2</sub></span>(C<span class="inf"><sub>15</sub></span>H<span class="inf"><sub>15</sub></span>NO<span class="inf"><sub>2</sub></span>)<span class="inf"><sub>2</sub></span>], in which two phenolate O atoms
    66. 

  66. the two independent Schiff base ligands are coordinated to thee
    67. 

  67. Zn<span class="sup"><sup>2+</sup></span> atom. The protonated imine
    68. 

  68. N atoms are involved in an intramolecular hydrogen bond with the
    69. 

  69. phenoxide group. The Zn atom is also coordinated by two N atoms of
    70. 

  70. two thiocyanate ligands. The coordination environment of the Zn
    71. 

  71. atom is distorted-tetrahedral.</p>
    72. 

  72. </div>
    73. 

  73. 

  74. <!-- endabstractdiv -->
    75. 

  75. <div class="contentslist">
    76. 

  76. <ul>
    77. 

  77. <li class="comment"><a title="Comment" href="#comment">Comment</a></li>
    78. 

  78. 

  79. <li class="relatedliterature"><a title="Related literature" href="#relatedliterature">Related literature</a></li>
    80. 

  80. 

  81. <li class="experimental"><a title="Experimental" href="#experimental">Experimental</a></li>
    82. 

  82. 

  83. <li class="refinement"><a title="Refinement" href="#refinement">Refinement</a></li>
    84. 

  84. 

  85. <li class="computingdetails"><a title="Computing details" href="#computingdetails">Computing details</a></li>
    86. 

  86. 

  87. <li class="figures"><a title="Figures" href="#figures">Figures</a></li>
    88. 

  88. 

  89. <li><a title="(I)" href="#chemicalname1">Bis{6-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato-
    90. 

  90. <span style="font-family:Times">?</span><i>O</i><sup>1</sup>}bis(thiocyanato-<span style="font-family:Times">?</span><i>N</i>)zinc(II)</a> 
    91. 

  91. 

  92. <ul>
    93. 

  93. <li><a title="Crystal data" href="#crystaldata1">Crystal
    94. 

  94. data</a></li>
    95. 

  95. 

  96. <li><a title="Data collection" href="#datacollection1">Data
    97. 

  97. collection</a></li>
    98. 

  98. 

  99. <li><a title="Refinement data" href="#refinementdata1">Refinement
    100. 

  100. data</a></li>
    101. 

  101. 

  102. <li class="specialdetails"><a title="Special details" href="#specialdetails1">Special details</a></li>
    103. 

  103. 

  104. <li class="licoords"><a title="Fractional atomic coordinates" href="#fractionalatomiccoordinates1">Fractional atomic
    105. 

  105. coordinates</a></li>
    106. 

  106. 

  107. <li class="liadps"><a title="Atomic displacement parameters" href="#atomicdisplacement1">Atomic displacement parameters</a></li>
    108. 

  108. 

  109. <li class="ligeomlong"><a title="Geometric parameters" href="#geometricparameters1">Geometric parameters</a></li>
    110. 

  110. 

  111. <li class="lihbondslong"><a title="Hydrogen-bond geometry" href="#hydrogen-bondgeometry1">Hydrogen-bond geometry</a></li>
    112. 

  112. 

  113. <li class="lihbondsshort"><a title="Hydrogen-bond geometry" href="#hydrogen-bondgeometry1">Hydrogen-bond geometry</a></li>
    114. 

  114. </ul>
    115. 

  115. </li>
    116. 

  116. 

  117. <li class="publreferences"><a title="References" href="#publreferences">References</a></li>
    118. 

  118. </ul>
    119. 

  119. </div>
    120. 

  120. 

  121. <!-- endcontentslistdiv -->
    122. 

  122. <div class="comment"><a id="comment" name="comment"/> 
    123. 

  123. 

  124. <div class="heading2">Comment <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    125. 

  125. </div>
    126. 

  126. 

  127. <!-- endheading2div -->
    128. 

  128. <p>The Schiff base ligands, the products of condensation of
    129. 

  129. <i>o</i>-vanillin with amines, viewed several different kind of
    130. 

  130. coordination modes with the centre metals (Sen <i>et al.</i>,
    131. 

  131. 2006). And, in early articles, researchers have reported three
    132. 

  132. coordination modes of the Schiff base ligand, HL, derived from
    133. 

  133. condensation of <i>o</i>-vanillin and <i>p</i>-toluidine. The first
    134. 

  134. mode was that two O atoms of the Schiff base ligand were
    135. 

  135. coordinated to the centre metal (Zhou &amp; Zhao, 2007; Yu <i>et
    136. 

  136. al.</i>, 2007; Zhao <i>et al.</i>, 2007). The second one was that
    137. 

  137. the ligands coordinate to centre metal through hydroxy O atom and
    138. 

  138. the azomethine N atom (Iyere <i>et al.</i>, 2004). The third one
    139. 

  139. was that the centre metal only coordinated to the phenol O atoms
    140. 

  140. (Zhou <i>et al.</i>, 2007). In fact, there was still another
    141. 

  141. coordination mode of the Schiff base ligand. It was that all the
    142. 

  142. three donor atoms were coordinated to centre metal, but without its
    143. 

  143. X-ray crystallographic conformations (Maurya <i>et al.</i>, 1994).
    144. 

  144. Here we decribe the synthesis and crystal structure of a new
    145. 

  145. zinc(II) complex (Fig. 1), Zn(HL)<sub>2</sub>(NCS)<sub>2</sub>,
    146. 

  146. involing the Schiff base HL, with the third coordination mode.</p>
    147. 

  147. 

  148. <p>As shown in Fig. 1, the tridentate ligands coordinate to the Zn
    149. 

  149. atom through two phenolic hydroxy O atoms and two isothiocyanate N
    150. 

  150. atoms, forming a distorted tetrahedral geometry around the metal
    151. 

  151. ion. The isothiocyanate group was not used as a bridged ligand, in
    152. 

  152. the same way to the other Zn complexes with the ligand of
    153. 

  153. isothiocyanate (Li, 2007; Zhang &amp; Wang, 2007; Groeneveld <i>et
    154. 

  154. al.</i>, 1982).</p>
    155. 

  155. </div>
    156. 

  156. 

  157. <!-- endcommentdiv -->
    158. 

  158. <div class="relatedliterature"><a id="relatedliterature" name="relatedliterature"/> 
    159. 

  159. 

  160. <div class="heading2">Related literature <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    161. 

  161. </div>
    162. 

  162. 

  163. <!-- endheading2div -->
    164. 

  164. <p>For related literature, see: Groeneveld <i>et al.</i> (1982);
    165. 

  165. Iyere <i>et al.</i> (2004); Li (2007); Maurya <i>et al.</i> (1994);
    166. 

  166. Sen <i>et al.</i> (2006); Yu <i>et al.</i> (2007); Zhang &amp; Wang
    167. 

  167. (2007); Zhao <i>et al.</i> (2007); Zhou &amp; Zhao (2007); Zhou
    168. 

  168. <i>et al.</i> (2007). It would be much more useful to readers if
    169. 

  169. the "Related literature" section had some kind of simple
    170. 

  170. sub-division, so that, instead of just "For related
    171. 

  171. literature, see···" it said, for example,
    172. 

  172. "For general background, see···. For related
    173. 

  173. structures, see···.? etc. Please revise this section
    174. 

  174. as indicated.</p>
    175. 

  175. </div>
    176. 

  176. 

  177. <!-- endrelatedliteraturediv -->
    178. 

  178. <div class="experimental"><a id="experimental" name="experimental"/> 
    179. 

  179. 

  180. <div class="heading2">Experimental <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    181. 

  181. </div>
    182. 

  182. 

  183. <!-- endheading2div -->
    184. 

  184. <p>The Schiff base was prepared by refluxing <i>o</i>-vanillin (10
    185. 

  185. mmol, 1.5251 g) and <i>p</i>-toluidine (10 mmol, 1.0700 g) in
    186. 

  186. ethanol. The colour of the mixture changed from light yellow to
    187. 

  187. orange. Then, for the preparation of the complex, the zinc sulfate
    188. 

  188. heptahydrate (1 mmol, 0.2876 g) and potassium thiocyanate (0.1945
    189. 

  189. g, 2 mmol) in methanol (10 ml) was added to a methanol (30 ml)
    190. 

  190. solution of the Schiff base ligand (2 mmol, 0.4826 g). Red crystals
    191. 

  191. were obtained after 10 days.</p>
    192. 

  192. </div>
    193. 

  193. 

  194. <!-- endexperimentaldiv -->
    195. 

  195. <div class="refinement"><a id="refinement" name="refinement"/> 
    196. 

  196. 

  197. <div class="heading2">Refinement <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    198. 

  198. </div>
    199. 

  199. 

  200. <!-- endheading2div -->
    201. 

  201. <p>The H atoms bonded to C and N atoms were positioned
    202. 

  202. geometrically and refined using a riding model [aromatic C-H = 0.93
    203. 

  203. Å, methylic C-H = 0.96 Å, N-H = 0.86 Å,
    204. 

  204. <i>U</i><sub>iso</sub>(H) = 1.2 or
    205. 

  205. 1.5<i>U</i><sub>eq</sub>(C,N)].</p>
    206. 

  206. </div>
    207. 

  207. 

  208. <!-- endrefinementdiv -->
    209. 

  209. <div class="computingdetails"><a id="computingdetails" name="computingdetails"/> 
    210. 

  210. 

  211. <div class="heading2">Computing details <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    212. 

  212. </div>
    213. 

  213. 

  214. <!-- endheading2div -->
    215. 

  215. <p>Data collection: <i>APEX2</i> (Bruker, 2004); cell refinement:
    216. 

  216. <i>SAINT</i> (Bruker, 2004); data reduction: <i>SAINT</i> (Bruker,
    217. 

  217. 2004); program(s) used to solve structure: <i>SHELXTL</i>
    218. 

  218. (Sheldrick, 2008); program(s) used to refine structure:
    219. 

  219. <i>SHELXTL</i> (Sheldrick, 2008); molecular graphics:
    220. 

  220. <i>SHELXTL</i> (Sheldrick, 2008); software used to prepare material
    221. 

  221. for publication: <i>SHELXTL</i> (Sheldrick, 2008).</p>
    222. 

  222. </div>
    223. 

  223. 

  224. <!-- endcomputingdetailsdiv -->
    225. 

  225. <div class="schemes"><a href="./at2651scheme1.gif"/></div>
    226. 

  226. 

  227. <!-- endschemesdiv -->
    228. 

  228. <div class="figures"><a id="figures" name="figures"/> 
    229. 

  229. 

  230. <div class="heading2">Figures <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    231. 

  231. </div>
    232. 

  232. 

  233. <!-- endheading2div -->
    234. 

  234. <table style="table-layout:fixed" width="100%" class="nodecs">
    235. 

  235. <colgroup span="2">
    236. 

  236. <col width="110"/>
    237. 

  237. <col/></colgroup>
    238. 

  238. 

  239. <tr>
    240. 

  240. <td class="nodecs" align="center" width="110"><a href="./at2651fig1.html"><img width="100" src="./at2651fig1thm.gif" alt="[Figure 1]" align="middle"/></a> </td>
    241. 

  241. <td class="nodecs" valign="middle">Fig. 1. The molecular structure
    242. 

  242. of the title complex, showing the atom-labelling scheme.
    243. 

  243. Displacement ellipsoids are drawn at the 30% probability level.
    244. 

  244. </td>
    245. 

  245. </tr>
    246. 

  246. </table>
    247. 

  247. </div>
    248. 

  248. 

  249. <!-- endfiguresdiv -->
    250. 

  250. <div class="datablock1">
    251. 

  251. <div class="heading2"><a id="chemicalname1" name="chemicalname1"/>Bis{6-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato-
    252. 

  252. <span style="font-family:Times">?</span><i>O</i><sup>1</sup>}bis(thiocyanato-<span style="font-family:Times">?</span><i>N</i>)zinc(II) <span class="toplink"><a class="buttons" href="#top">top</a></span>
    253. 

  253. <!-- endtoplinkspan -->
    254. 

  254. </div>
    255. 

  255. 

  256. <!-- endheading2div -->
    257. 

  257. <div class="tablewrapcrystaldatalong"><a id="crystaldata1" name="crystaldata1"/><span class="heading3">Crystal data</span>
    258. 

  258. <!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    259. 

  259. <table style="table-layout:fixed" width="80%" summary="" class="tabledata">
    260. 

  260. <colgroup span="2">
    261. 

  261. <col width="50%"/>
    262. 

  262. <col width="50%"/></colgroup>
    263. 

  263. 

  264. <tr>
    265. 

  265. <td width="50%" class="tabledata">
    266. 

  266. [Zn(NCS)<sub>2</sub>(C<sub>15</sub>H<sub>15</sub>NO<sub>2</sub>)<sub>
    267. 

  267. 2</sub>]</td>
    268. 

  268. <td width="50%" class="tabledata"><i>Z</i> = 2</td>
    269. 

  269. </tr>
    270. 

  270. 

  271. <tr>
    272. 

  272. <td width="50%" class="tabledata"><i>M</i><i><sub>r</sub></i> =
    273. 

  273. 664.13</td>
    274. 

  274. <td width="50%" class="tabledata"><i>F</i><sub>000</sub> = 688</td>
    275. 

  275. </tr>
    276. 

  276. 

  277. <tr>
    278. 

  278. <td width="50%" class="tabledata">Triclinic, <i>P</i><span style="text-decoration:overline">1</span></td>
    279. 

  279. <td width="50%" class="tabledata"><i>D</i><sub>x</sub> = 1.370 Mg
    280. 

  280. m<span style="font-family:Times"><sup>?</sup></span><sup>3</sup></td>
    281. 

  281. </tr>
    282. 

  282. 

  283. <tr>
    284. 

  284. <td width="50%" class="tabledata">Hall symbol: -P 1</td>
    285. 

  285. <td width="50%" class="tabledata">Mo <i>K</i><span style="font-family:Times">?</span> radiation<br/>
    286. 

  286. <span style="font-family:Times">?</span> = 0.71073 Å</td>
    287. 

  287. </tr>
    288. 

  288. 

  289. <tr>
    290. 

  290. <td width="50%" class="tabledata"><i>a</i> = 9.3830 (2) Å</td>
    291. 

  291. <td width="50%" class="tabledata">Cell parameters from 5295
    292. 

  292. reflections</td>
    293. 

  293. </tr>
    294. 

  294. 

  295. <tr>
    296. 

  296. <td width="50%" class="tabledata"><i>b</i> = 11.7146 (2)
    297. 

  297. Å</td>
    298. 

  298. <td width="50%" class="tabledata"><span style="font-family:Times">?</span> = 1.4-25.0º</td>
    299. 

  299. </tr>
    300. 

  300. 

  301. <tr>
    302. 

  302. <td width="50%" class="tabledata"><i>c</i> = 15.7328 (3)
    303. 

  303. Å</td>
    304. 

  304. <td width="50%" class="tabledata">µ = 0.93 mm<span style="font-family:Times"><sup>?</sup></span><sup>1</sup></td>
    305. 

  305. </tr>
    306. 

  306. 

  307. <tr>
    308. 

  308. <td width="50%" class="tabledata"><span style="font-family:Times">?</span> = 107.7830 (10)º</td>
    309. 

  309. <td width="50%" class="tabledata"><i>T</i> = 296 (2) K</td>
    310. 

  310. </tr>
    311. 

  311. 

  312. <tr>
    313. 

  313. <td width="50%" class="tabledata"><span style="font-family:Times">?</span> = 99.4450 (10)º</td>
    314. 

  314. <td width="50%" class="tabledata">Block, red</td>
    315. 

  315. </tr>
    316. 

  316. 

  317. <tr>
    318. 

  318. <td width="50%" class="tabledata"><span style="font-family:Times">?</span> = 94.1730 (10)º</td>
    319. 

  319. <td width="50%" class="tabledata">0.23 × 0.18 × 0.07
    320. 

  320. mm</td>
    321. 

  321. </tr>
    322. 

  322. 

  323. <tr>
    324. 

  324. <td width="50%" class="tabledata"><i>V</i> = 1610.41 (5)
    325. 

  325. Å<sup>3</sup></td>
    326. 

  326. <td width="50%" class="tabledata"/>
    327. 

  327. </tr>
    328. 

  328. </table>
    329. 

  329. 

  330. <!-- endtabledatatable -->
    331. 

  331. </div>
    332. 

  332. 

  333. <!-- endtablewrapcrystaldatalongdiv -->
    334. 

  334. <div class="tablewrapdatacollectionlong"><a id="datacollection1" name="datacollection1"/><span class="heading3">Data
    335. 

  335. collection</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    336. 

  336. <table style="table-layout:fixed" width="80%" summary="" class="tabledata">
    337. 

  337. <colgroup span="2">
    338. 

  338. <col width="50%"/>
    339. 

  339. <col width="50%"/></colgroup>
    340. 

  340. 

  341. <tr>
    342. 

  342. <td width="50%" class="tabledata">Bruker APEXII area-detector<br/>
    343. 

  343. diffractometer</td>
    344. 

  344. <td width="50%" class="tabledata">5672 independent reflections</td>
    345. 

  345. </tr>
    346. 

  346. 

  347. <tr>
    348. 

  348. <td width="50%" class="tabledata">Radiation source: fine-focus
    349. 

  349. sealed tube</td>
    350. 

  350. <td width="50%" class="tabledata">3679 reflections with <i>I</i>
    351. 

  351. &gt; 2<span style="font-family:Times">?</span>(<i>I</i>)</td>
    352. 

  352. </tr>
    353. 

  353. 

  354. <tr>
    355. 

  355. <td width="50%" class="tabledata">Monochromator: graphite</td>
    356. 

  356. <td width="50%" class="tabledata"><i>R</i><sub>int</sub> =
    357. 

  357. 0.034</td>
    358. 

  358. </tr>
    359. 

  359. 

  360. <tr>
    361. 

  361. <td width="50%" class="tabledata"><i>T</i> = 296(2) K</td>
    362. 

  362. <td width="50%" class="tabledata"><span style="font-family:Times">?</span><sub>max</sub> =
    363. 

  363. 25.0º</td>
    364. 

  364. </tr>
    365. 

  365. 

  366. <tr>
    367. 

  367. <td width="50%" class="tabledata"><span style="font-family:Times">?</span> scans</td>
    368. 

  368. <td width="50%" class="tabledata"><span style="font-family:Times">?</span><sub>min</sub> =
    369. 

  369. 1.4º</td>
    370. 

  370. </tr>
    371. 

  371. 

  372. <tr>
    373. 

  373. <td width="50%" class="tabledata">Absorption correction:
    374. 

  374. multi-scan<br/>
    375. 

  375. (SADABS; Sheldrick, 1996)</td>
    376. 

  376. <td width="50%" class="tabledata"><i>h</i> = <span style="font-family:Times">?</span>11?11</td>
    377. 

  377. </tr>
    378. 

  378. 

  379. <tr>
    380. 

  380. <td width="50%" class="tabledata"><i>T</i><sub>min</sub> = 0.817,
    381. 

  381. <i>T</i><sub>max</sub> = 0.940</td>
    382. 

  382. <td width="50%" class="tabledata"><i>k</i> = <span style="font-family:Times">?</span>13?13</td>
    383. 

  383. </tr>
    384. 

  384. 

  385. <tr>
    386. 

  386. <td width="50%" class="tabledata">20903 measured reflections</td>
    387. 

  387. <td width="50%" class="tabledata"><i>l</i> = <span style="font-family:Times">?</span>16?18</td>
    388. 

  388. </tr>
    389. 

  389. </table>
    390. 

  390. 

  391. <!-- endtabledatatable -->
    392. 

  392. </div>
    393. 

  393. 

  394. <!-- endtablewrapdatacollectionlongdiv -->
    395. 

  395. <div class="tablewraprefinementdatalong"><a id="refinementdata1" name="refinementdata1"/><span class="heading3">Refinement</span>
    396. 

  396. <!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    397. 

  397. <table style="table-layout:fixed" width="80%" summary="" class="tabledata">
    398. 

  398. <colgroup span="2">
    399. 

  399. <col width="50%"/>
    400. 

  400. <col width="50%"/></colgroup>
    401. 

  401. 

  402. <tr>
    403. 

  403. <td width="50%" class="tabledata">Refinement on
    404. 

  404. <i>F</i><sup>2</sup></td>
    405. 

  405. <td width="50%" class="tabledata">Secondary atom site location:
    406. 

  406. difference Fourier map</td>
    407. 

  407. </tr>
    408. 

  408. 

  409. <tr>
    410. 

  410. <td width="50%" class="tabledata">Least-squares matrix: full</td>
    411. 

  411. <td width="50%" class="tabledata">Hydrogen site location: inferred
    412. 

  412. from neighbouring sites</td>
    413. 

  413. </tr>
    414. 

  414. 

  415. <tr>
    416. 

  416. <td width="50%" class="tabledata"><i>R</i>[<i>F</i><sup>2</sup>
    417. 

  417. &gt; 2<span style="font-family:Times">?</span>(<i>F</i><sup>2</sup>)] =
    418. 

  418. 0.040</td>
    419. 

  419. <td width="50%" class="tabledata">H-atom parameters
    420. 

  420. constrained</td>
    421. 

  421. </tr>
    422. 

  422. 

  423. <tr>
    424. 

  424. <td width="50%" class="tabledata"><i>wR</i>(<i>F</i><sup>2</sup>) =
    425. 

  425. 0.106</td>
    426. 

  426. <td width="50%" class="tabledata">  <i>w</i> = 1/[<span style="font-family:Times">?</span><sup>2</sup>(<i>F</i><sub>o</sub><sup>
    427. 

  427. 2</sup>) + (0.0521<i>P</i>)<sup>2</sup>]<br/>
    428. 

  428. where <i>P</i> = (<i>F</i><sub>o</sub><sup>2</sup> +
    429. 

  429. 2<i>F</i><sub>c</sub><sup>2</sup>)/3</td>
    430. 

  430. </tr>
    431. 

  431. 

  432. <tr>
    433. 

  433. <td width="50%" class="tabledata"><i>S</i> = 1.02</td>
    434. 

  434. <td width="50%" class="tabledata">(?/<span style="font-family:Times">?</span>)<sub>max</sub> &lt;
    435. 

  435. 0.001</td>
    436. 

  436. </tr>
    437. 

  437. 

  438. <tr>
    439. 

  439. <td width="50%" class="tabledata">5672 reflections</td>
    440. 

  440. <td width="50%" class="tabledata">?<span style="font-family:Times">?</span><sub>max</sub> = 0.30 e
    441. 

  441. Å<span style="font-family:Times"><sup>?</sup></span><sup>3</sup></td>
    442. 

  442. </tr>
    443. 

  443. 

  444. <tr>
    445. 

  445. <td width="50%" class="tabledata">388 parameters</td>
    446. 

  446. <td width="50%" class="tabledata">?<span style="font-family:Times">?</span><sub>min</sub> = <span style="font-family:Times">?</span>0.24 e Å<span style="font-family:Times"><sup>?</sup></span><sup>3</sup></td>
    447. 

  447. </tr>
    448. 

  448. 

  449. <tr>
    450. 

  450. <td width="50%" class="tabledata">Primary atom site location:
    451. 

  451. structure-invariant direct methods</td>
    452. 

  452. <td width="50%" class="tabledata">Extinction correction: none</td>
    453. 

  453. </tr>
    454. 

  454. </table>
    455. 

  455. 

  456. <!-- endtabledatatable -->
    457. 

  457. </div>
    458. 

  458. 

  459. <!-- endtablewraprefinementdatalongdiv -->
    460. 

  460. <div class="tablewrapcrystaldatashort"><a id="crystaldata1" name="crystaldata1"/><span class="heading3">Crystal data</span>
    461. 

  461. <!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    462. 

  462. <table style="table-layout:fixed" width="80%" summary="" class="tabledata">
    463. 

  463. <colgroup span="2">
    464. 

  464. <col width="50%"/>
    465. 

  465. <col width="50%"/></colgroup>
    466. 

  466. 

  467. <tr>
    468. 

  468. <td width="50%" class="tabledata">
    469. 

  469. [Zn(NCS)<sub>2</sub>(C<sub>15</sub>H<sub>15</sub>NO<sub>2</sub>)<sub>
    470. 

  470. 2</sub>]</td>
    471. 

  471. <td width="50%" class="tabledata"><span style="font-family:Times">?</span> = 94.1730 (10)º</td>
    472. 

  472. </tr>
    473. 

  473. 

  474. <tr>
    475. 

  475. <td width="50%" class="tabledata"><i>M</i><i><sub>r</sub></i> =
    476. 

  476. 664.13</td>
    477. 

  477. <td width="50%" class="tabledata"><i>V</i> = 1610.41 (5)
    478. 

  478. Å<sup>3</sup></td>
    479. 

  479. </tr>
    480. 

  480. 

  481. <tr>
    482. 

  482. <td width="50%" class="tabledata">Triclinic, <i>P</i><span style="text-decoration:overline">1</span></td>
    483. 

  483. <td width="50%" class="tabledata"><i>Z</i> = 2</td>
    484. 

  484. </tr>
    485. 

  485. 

  486. <tr>
    487. 

  487. <td width="50%" class="tabledata"><i>a</i> = 9.3830 (2) Å</td>
    488. 

  488. <td width="50%" class="tabledata">Mo <i>K</i><span style="font-family:Times">?</span></td>
    489. 

  489. </tr>
    490. 

  490. 

  491. <tr>
    492. 

  492. <td width="50%" class="tabledata"><i>b</i> = 11.7146 (2)
    493. 

  493. Å</td>
    494. 

  494. <td width="50%" class="tabledata">µ = 0.93 mm<span style="font-family:Times"><sup>?</sup></span><sup>1</sup></td>
    495. 

  495. </tr>
    496. 

  496. 

  497. <tr>
    498. 

  498. <td width="50%" class="tabledata"><i>c</i> = 15.7328 (3)
    499. 

  499. Å</td>
    500. 

  500. <td width="50%" class="tabledata"><i>T</i> = 296 (2) K</td>
    501. 

  501. </tr>
    502. 

  502. 

  503. <tr>
    504. 

  504. <td width="50%" class="tabledata"><span style="font-family:Times">?</span> = 107.7830 (10)º</td>
    505. 

  505. <td width="50%" class="tabledata">0.23 × 0.18 × 0.07
    506. 

  506. mm</td>
    507. 

  507. </tr>
    508. 

  508. 

  509. <tr>
    510. 

  510. <td width="50%" class="tabledata"><span style="font-family:Times">?</span> = 99.4450 (10)º</td>
    511. 

  511. <td width="50%" class="tabledata"/>
    512. 

  512. </tr>
    513. 

  513. </table>
    514. 

  514. 

  515. <!-- endtabledatatable -->
    516. 

  516. </div>
    517. 

  517. 

  518. <!-- endtablewrapcrystaldatashortdiv -->
    519. 

  519. <div class="tablewrapdatacollectionshort"><a id="datacollection1" name="datacollection1"/><span class="heading3">Data
    520. 

  520. collection</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    521. 

  521. <table style="table-layout:fixed" width="80%" summary="" class="tabledata">
    522. 

  522. <colgroup span="2">
    523. 

  523. <col width="50%"/>
    524. 

  524. <col width="50%"/></colgroup>
    525. 

  525. 

  526. <tr>
    527. 

  527. <td width="50%" class="tabledata">Bruker APEXII area-detector<br/>
    528. 

  528. diffractometer</td>
    529. 

  529. <td width="50%" class="tabledata">5672 independent reflections</td>
    530. 

  530. </tr>
    531. 

  531. 

  532. <tr>
    533. 

  533. <td width="50%" class="tabledata">Absorption correction:
    534. 

  534. multi-scan<br/>
    535. 

  535. (SADABS; Sheldrick, 1996)</td>
    536. 

  536. <td width="50%" class="tabledata">3679 reflections with <i>I</i>
    537. 

  537. &gt; 2<span style="font-family:Times">?</span>(<i>I</i>)</td>
    538. 

  538. </tr>
    539. 

  539. 

  540. <tr>
    541. 

  541. <td width="50%" class="tabledata"><i>T</i><sub>min</sub> = 0.817,
    542. 

  542. <i>T</i><sub>max</sub> = 0.940</td>
    543. 

  543. <td width="50%" class="tabledata"><i>R</i><sub>int</sub> =
    544. 

  544. 0.034</td>
    545. 

  545. </tr>
    546. 

  546. 

  547. <tr>
    548. 

  548. <td width="50%" class="tabledata">20903 measured reflections</td>
    549. 

  549. <td width="50%" class="tabledata"/>
    550. 

  550. </tr>
    551. 

  551. </table>
    552. 

  552. 

  553. <!-- endtabledatatable -->
    554. 

  554. </div>
    555. 

  555. 

  556. <!-- endtablewrapdatacollectionshortdiv -->
    557. 

  557. <div class="tablewraprefinementdatashort"><a id="refinementdata1" name="refinementdata1"/><span class="heading3">Refinement</span>
    558. 

  558. <!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    559. 

  559. <table style="table-layout:fixed" width="80%" summary="" class="tabledata">
    560. 

  560. <colgroup span="2">
    561. 

  561. <col width="50%"/>
    562. 

  562. <col width="50%"/></colgroup>
    563. 

  563. 

  564. <tr>
    565. 

  565. <td width="50%" class="tabledata"><i>R</i>[<i>F</i><sup>2</sup>
    566. 

  566. &gt; 2<span style="font-family:Times">?</span>(<i>F</i><sup>2</sup>)] =
    567. 

  567. 0.040</td>
    568. 

  568. <td width="50%" class="tabledata">388 parameters</td>
    569. 

  569. </tr>
    570. 

  570. 

  571. <tr>
    572. 

  572. <td width="50%" class="tabledata"><i>wR</i>(<i>F</i><sup>2</sup>) =
    573. 

  573. 0.106</td>
    574. 

  574. <td width="50%" class="tabledata">H-atom parameters
    575. 

  575. constrained</td>
    576. 

  576. </tr>
    577. 

  577. 

  578. <tr>
    579. 

  579. <td width="50%" class="tabledata"><i>S</i> = 1.02</td>
    580. 

  580. <td width="50%" class="tabledata">?<span style="font-family:Times">?</span><sub>max</sub> = 0.30 e
    581. 

  581. Å<span style="font-family:Times"><sup>?</sup></span><sup>3</sup></td>
    582. 

  582. </tr>
    583. 

  583. 

  584. <tr>
    585. 

  585. <td width="50%" class="tabledata">5672 reflections</td>
    586. 

  586. <td width="50%" class="tabledata">?<span style="font-family:Times">?</span><sub>min</sub> = <span style="font-family:Times">?</span>0.24 e Å<span style="font-family:Times"><sup>?</sup></span><sup>3</sup></td>
    587. 

  587. </tr>
    588. 

  588. </table>
    589. 

  589. 

  590. <!-- endtabledatatable -->
    591. 

  591. </div>
    592. 

  592. 

  593. <!-- endtablewraprefinementdatashortdiv -->
    594. 

  594. <div class="specialdetails"><a id="specialdetails1" name="specialdetails1"/><span class="heading3">Special
    595. 

  595. details</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    596. 

  596. <table style="table-layout:fixed" width="100%" class="tabledata">
    597. 

  597. <tr>
    598. 

  598. <td class="tabledata">
    599. 

  599. <p><b>Geometry</b>. All e.s.d.'s (except the e.s.d. in the
    600. 

  600. dihedral angle between two l.s. planes) are estimated using the
    601. 

  601. full covariance matrix. The cell e.s.d.'s are taken into
    602. 

  602. account individually in the estimation of e.s.d.'s in
    603. 

  603. distances, angles and torsion angles; correlations between
    604. 

  604. e.s.d.'s in cell parameters are only used when they are defined
    605. 

  605. by crystal symmetry. An approximate (isotropic) treatment of cell
    606. 

  606. e.s.d.'s is used for estimating e.s.d.'s involving l.s.
    607. 

  607. planes.</p>
    608. 

  608. </td>
    609. 

  609. </tr>
    610. 

  610. 

  611. <tr>
    612. 

  612. <td class="tabledata">
    613. 

  613. <p><b>Refinement</b>. Refinement of <i>F</i><sup>2</sup> against
    614. 

  614. ALL reflections. The weighted <i>R</i>-factor <i>wR</i> and
    615. 

  615. goodness of fit <i>S</i> are based on <i>F</i><sup>2</sup>,
    616. 

  616. conventional <i>R</i>-factors <i>R</i> are based on <i>F</i>, with
    617. 

  617. <i>F</i> set to zero for negative <i>F</i><sup>2</sup>. The
    618. 

  618. threshold expression of <i>F</i><sup>2</sup> &gt; <span style="font-family:Times">?</span>(<i>F</i><sup>2</sup>) is
    619. 

  619. used only for calculating <i>R</i>-factors(gt) <i>etc</i>. and is
    620. 

  620. not relevant to the choice of reflections for refinement.
    621. 

  621. <i>R</i>-factors based on <i>F</i><sup>2</sup> are statistically
    622. 

  622. about twice as large as those based on <i>F</i>, and <i>R</i>-
    623. 

  623. factors based on ALL data will be even larger.</p>
    624. 

  624. </td>
    625. 

  625. </tr>
    626. 

  626. </table>
    627. 

  627. </div>
    628. 

  628. 

  629. <!-- endspecialdetailsdiv -->
    630. 

  630. <div class="tablewrapcoords"><a id="fractionalatomiccoordinates1" name="fractionalatomiccoordinates1"/> <span class="heading3">Fractional atomic coordinates and isotropic or
    631. 

  631. equivalent isotropic displacement parameters
    632. 

  632. (Å<sup>2</sup>)</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span>
    633. 

  633. <!-- endtoplinkspan -->
    634. 

  634. <table style="table-layout:fixed" width="100%" summary="" class="tabledata">
    635. 

  635. <tr>
    636. 

  636. <td class="tabledata"/>
    637. 

  637. <td class="tabledata"><i>x</i></td>
    638. 

  638. <td class="tabledata"><i>y</i></td>
    639. 

  639. <td class="tabledata"><i>z</i></td>
    640. 

  640. <td class="tabledata">
    641. 

  641. <i>U</i><sub>iso</sub>*/<i>U</i><sub>eq</sub></td>
    642. 

  642. <td class="tabledata"/>
    643. 

  643. </tr>
    644. 

  644. 

  645. <tr>
    646. 

  646. <td class="tabledata">Zn1</td>
    647. 

  647. <td class="tabledata"><span style="font-family:Times">?</span>0.34621 (3)</td>
    648. 

  648. <td class="tabledata"><span style="font-family:Times">?</span>0.06960 (3)</td>
    649. 

  649. <td class="tabledata">0.25870 (2)</td>
    650. 

  650. <td class="tabledata">0.06223 (15)</td>
    651. 

  651. <td class="tabledata"/>
    652. 

  652. </tr>
    653. 

  653. 

  654. <tr>
    655. 

  655. <td class="tabledata">S1</td>
    656. 

  656. <td class="tabledata"><span style="font-family:Times">?</span>0.56733 (13)</td>
    657. 

  657. <td class="tabledata"><span style="font-family:Times">?</span>0.44672 (8)</td>
    658. 

  658. <td class="tabledata">0.24413 (7)</td>
    659. 

  659. <td class="tabledata">0.1062 (4)</td>
    660. 

  660. <td class="tabledata"/>
    661. 

  661. </tr>
    662. 

  662. 

  663. <tr>
    664. 

  664. <td class="tabledata">O1</td>
    665. 

  665. <td class="tabledata"><span style="font-family:Times">?</span>0.3477 (3)</td>
    666. 

  666. <td class="tabledata">0.1704 (2)</td>
    667. 

  667. <td class="tabledata">0.25578 (15)</td>
    668. 

  668. <td class="tabledata">0.0886 (7)</td>
    669. 

  669. <td class="tabledata"/>
    670. 

  670. </tr>
    671. 

  671. 

  672. <tr>
    673. 

  673. <td class="tabledata">N1</td>
    674. 

  674. <td class="tabledata"><span style="font-family:Times">?</span>0.4233 (3)</td>
    675. 

  675. <td class="tabledata"><span style="font-family:Times">?</span>0.2404 (3)</td>
    676. 

  676. <td class="tabledata">0.2301 (2)</td>
    677. 

  677. <td class="tabledata">0.0835 (8)</td>
    678. 

  678. <td class="tabledata"/>
    679. 

  679. </tr>
    680. 

  680. 

  681. <tr>
    682. 

  682. <td class="tabledata">C1</td>
    683. 

  683. <td class="tabledata"><span style="font-family:Times">?</span>1.0051 (5)</td>
    684. 

  684. <td class="tabledata"><span style="font-family:Times">?</span>0.6559 (3)</td>
    685. 

  685. <td class="tabledata"><span style="font-family:Times">?</span>0.1553 (2)</td>
    686. 

  686. <td class="tabledata">0.1179 (15)</td>
    687. 

  687. <td class="tabledata"/>
    688. 

  688. </tr>
    689. 

  689. 

  690. <tr>
    691. 

  691. <td class="tabledata">H1B</td>
    692. 

  692. <td class="tabledata"><span style="font-family:Times">?</span>1.1012</td>
    693. 

  693. <td class="tabledata"><span style="font-family:Times">?</span>0.6514</td>
    694. 

  694. <td class="tabledata"><span style="font-family:Times">?</span>0.1852</td>
    695. 

  695. <td class="tabledata">0.177*</td>
    696. 

  696. <td class="tabledata"/>
    697. 

  697. </tr>
    698. 

  698. 

  699. <tr>
    700. 

  700. <td class="tabledata">H1C</td>
    701. 

  701. <td class="tabledata"><span style="font-family:Times">?</span>1.0118</td>
    702. 

  702. <td class="tabledata"><span style="font-family:Times">?</span>0.6975</td>
    703. 

  703. <td class="tabledata"><span style="font-family:Times">?</span>0.1118</td>
    704. 

  704. <td class="tabledata">0.177*</td>
    705. 

  705. <td class="tabledata"/>
    706. 

  706. </tr>
    707. 

  707. 

  708. <tr>
    709. 

  709. <td class="tabledata">H1D</td>
    710. 

  710. <td class="tabledata"><span style="font-family:Times">?</span>0.9522</td>
    711. 

  711. <td class="tabledata"><span style="font-family:Times">?</span>0.6990</td>
    712. 

  712. <td class="tabledata"><span style="font-family:Times">?</span>0.1996</td>
    713. 

  713. <td class="tabledata">0.177*</td>
    714. 

  714. <td class="tabledata"/>
    715. 

  715. </tr>
    716. 

  716. 

  717. <tr>
    718. 

  718. <td class="tabledata">S2</td>
    719. 

  719. <td class="tabledata">0.05039 (9)</td>
    720. 

  720. <td class="tabledata">0.03726 (9)</td>
    721. 

  721. <td class="tabledata">0.14475 (6)</td>
    722. 

  722. <td class="tabledata">0.0846 (3)</td>
    723. 

  723. <td class="tabledata"/>
    724. 

  724. </tr>
    725. 

  725. 

  726. <tr>
    727. 

  727. <td class="tabledata">O2</td>
    728. 

  728. <td class="tabledata"><span style="font-family:Times">?</span>0.5052 (2)</td>
    729. 

  729. <td class="tabledata"><span style="font-family:Times">?</span>0.04420 (18)</td>
    730. 

  730. <td class="tabledata">0.16903 (13)</td>
    731. 

  731. <td class="tabledata">0.0691 (6)</td>
    732. 

  732. <td class="tabledata"/>
    733. 

  733. </tr>
    734. 

  734. 

  735. <tr>
    736. 

  736. <td class="tabledata">N2</td>
    737. 

  737. <td class="tabledata"><span style="font-family:Times">?</span>0.1629 (3)</td>
    738. 

  738. <td class="tabledata"><span style="font-family:Times">?</span>0.0426 (3)</td>
    739. 

  739. <td class="tabledata">0.22310 (19)</td>
    740. 

  740. <td class="tabledata">0.0825 (8)</td>
    741. 

  741. <td class="tabledata"/>
    742. 

  742. </tr>
    743. 

  743. 

  744. <tr>
    745. 

  745. <td class="tabledata">C2</td>
    746. 

  746. <td class="tabledata"><span style="font-family:Times">?</span>0.9261 (5)</td>
    747. 

  747. <td class="tabledata"><span style="font-family:Times">?</span>0.5293 (3)</td>
    748. 

  748. <td class="tabledata"><span style="font-family:Times">?</span>0.1067 (2)</td>
    749. 

  749. <td class="tabledata">0.0859 (11)</td>
    750. 

  750. <td class="tabledata"/>
    751. 

  751. </tr>
    752. 

  752. 

  753. <tr>
    754. 

  754. <td class="tabledata">N3</td>
    755. 

  755. <td class="tabledata"><span style="font-family:Times">?</span>0.7024 (2)</td>
    756. 

  756. <td class="tabledata"><span style="font-family:Times">?</span>0.1806 (2)</td>
    757. 

  757. <td class="tabledata">0.03326 (16)</td>
    758. 

  758. <td class="tabledata">0.0646 (7)</td>
    759. 

  759. <td class="tabledata"/>
    760. 

  760. </tr>
    761. 

  761. 

  762. <tr>
    763. 

  763. <td class="tabledata">H3A</td>
    764. 

  764. <td class="tabledata"><span style="font-family:Times">?</span>0.6358</td>
    765. 

  765. <td class="tabledata"><span style="font-family:Times">?</span>0.1743</td>
    766. 

  766. <td class="tabledata">0.0797</td>
    767. 

  767. <td class="tabledata">0.077*</td>
    768. 

  768. <td class="tabledata"/>
    769. 

  769. </tr>
    770. 

  770. 

  771. <tr>
    772. 

  772. <td class="tabledata">O3</td>
    773. 

  773. <td class="tabledata"><span style="font-family:Times">?</span>0.1914 (2)</td>
    774. 

  774. <td class="tabledata"><span style="font-family:Times">?</span>0.1235 (2)</td>
    775. 

  775. <td class="tabledata">0.39664 (15)</td>
    776. 

  776. <td class="tabledata">0.0845 (7)</td>
    777. 

  777. <td class="tabledata"/>
    778. 

  778. </tr>
    779. 

  779. 

  780. <tr>
    781. 

  781. <td class="tabledata">C3</td>
    782. 

  782. <td class="tabledata"><span style="font-family:Times">?</span>0.7856 (5)</td>
    783. 

  783. <td class="tabledata"><span style="font-family:Times">?</span>0.5117 (4)</td>
    784. 

  784. <td class="tabledata"><span style="font-family:Times">?</span>0.0581 (3)</td>
    785. 

  785. <td class="tabledata">0.0969 (12)</td>
    786. 

  786. <td class="tabledata"/>
    787. 

  787. </tr>
    788. 

  788. 

  789. <tr>
    790. 

  790. <td class="tabledata">H3B</td>
    791. 

  791. <td class="tabledata"><span style="font-family:Times">?</span>0.7386</td>
    792. 

  792. <td class="tabledata"><span style="font-family:Times">?</span>0.5786</td>
    793. 

  793. <td class="tabledata"><span style="font-family:Times">?</span>0.0571</td>
    794. 

  794. <td class="tabledata">0.116*</td>
    795. 

  795. <td class="tabledata"/>
    796. 

  796. </tr>
    797. 

  797. 

  798. <tr>
    799. 

  799. <td class="tabledata">O4</td>
    800. 

  800. <td class="tabledata"><span style="font-family:Times">?</span>0.3720 (2)</td>
    801. 

  801. <td class="tabledata">0.03332 (17)</td>
    802. 

  802. <td class="tabledata">0.37738 (12)</td>
    803. 

  803. <td class="tabledata">0.0650 (5)</td>
    804. 

  804. <td class="tabledata"/>
    805. 

  805. </tr>
    806. 

  806. 

  807. <tr>
    808. 

  808. <td class="tabledata">N4</td>
    809. 

  809. <td class="tabledata"><span style="font-family:Times">?</span>0.5101 (2)</td>
    810. 

  810. <td class="tabledata">0.2110 (2)</td>
    811. 

  811. <td class="tabledata">0.44824 (15)</td>
    812. 

  812. <td class="tabledata">0.0573 (6)</td>
    813. 

  813. <td class="tabledata"/>
    814. 

  814. </tr>
    815. 

  815. 

  816. <tr>
    817. 

  817. <td class="tabledata">H4A</td>
    818. 

  818. <td class="tabledata"><span style="font-family:Times">?</span>0.4896</td>
    819. 

  819. <td class="tabledata">0.1612</td>
    820. 

  820. <td class="tabledata">0.4004</td>
    821. 

  821. <td class="tabledata">0.069*</td>
    822. 

  822. <td class="tabledata"/>
    823. 

  823. </tr>
    824. 

  824. 

  825. <tr>
    826. 

  826. <td class="tabledata">C4</td>
    827. 

  827. <td class="tabledata"><span style="font-family:Times">?</span>0.7124 (4)</td>
    828. 

  828. <td class="tabledata"><span style="font-family:Times">?</span>0.3966 (3)</td>
    829. 

  829. <td class="tabledata"><span style="font-family:Times">?</span>0.0106 (2)</td>
    830. 

  830. <td class="tabledata">0.0852 (10)</td>
    831. 

  831. <td class="tabledata"/>
    832. 

  832. </tr>
    833. 

  833. 

  834. <tr>
    835. 

  835. <td class="tabledata">H4B</td>
    836. 

  836. <td class="tabledata"><span style="font-family:Times">?</span>0.6186</td>
    837. 

  837. <td class="tabledata"><span style="font-family:Times">?</span>0.3867</td>
    838. 

  838. <td class="tabledata">0.0232</td>
    839. 

  839. <td class="tabledata">0.102*</td>
    840. 

  840. <td class="tabledata"/>
    841. 

  841. </tr>
    842. 

  842. 

  843. <tr>
    844. 

  844. <td class="tabledata">C5</td>
    845. 

  845. <td class="tabledata"><span style="font-family:Times">?</span>0.7802 (3)</td>
    846. 

  846. <td class="tabledata"><span style="font-family:Times">?</span>0.2975 (3)</td>
    847. 

  847. <td class="tabledata"><span style="font-family:Times">?</span>0.0143 (2)</td>
    848. 

  848. <td class="tabledata">0.0650 (8)</td>
    849. 

  849. <td class="tabledata"/>
    850. 

  850. </tr>
    851. 

  851. 

  852. <tr>
    853. 

  853. <td class="tabledata">C6</td>
    854. 

  854. <td class="tabledata"><span style="font-family:Times">?</span>0.9205 (4)</td>
    855. 

  855. <td class="tabledata"><span style="font-family:Times">?</span>0.3138 (3)</td>
    856. 

  856. <td class="tabledata"><span style="font-family:Times">?</span>0.0617 (2)</td>
    857. 

  857. <td class="tabledata">0.0771 (9)</td>
    858. 

  858. <td class="tabledata"/>
    859. 

  859. </tr>
    860. 

  860. 

  861. <tr>
    862. 

  862. <td class="tabledata">H6A</td>
    863. 

  863. <td class="tabledata"><span style="font-family:Times">?</span>0.9679</td>
    864. 

  864. <td class="tabledata"><span style="font-family:Times">?</span>0.2472</td>
    865. 

  865. <td class="tabledata"><span style="font-family:Times">?</span>0.0631</td>
    866. 

  866. <td class="tabledata">0.093*</td>
    867. 

  867. <td class="tabledata"/>
    868. 

  868. </tr>
    869. 

  869. 

  870. <tr>
    871. 

  871. <td class="tabledata">C7</td>
    872. 

  872. <td class="tabledata"><span style="font-family:Times">?</span>0.9912 (4)</td>
    873. 

  873. <td class="tabledata"><span style="font-family:Times">?</span>0.4295 (4)</td>
    874. 

  874. <td class="tabledata"><span style="font-family:Times">?</span>0.1073 (2)</td>
    875. 

  875. <td class="tabledata">0.0851 (10)</td>
    876. 

  876. <td class="tabledata"/>
    877. 

  877. </tr>
    878. 

  878. 

  879. <tr>
    880. 

  880. <td class="tabledata">H7A</td>
    881. 

  881. <td class="tabledata"><span style="font-family:Times">?</span>1.0862</td>
    882. 

  882. <td class="tabledata"><span style="font-family:Times">?</span>0.4393</td>
    883. 

  883. <td class="tabledata"><span style="font-family:Times">?</span>0.1395</td>
    884. 

  884. <td class="tabledata">0.102*</td>
    885. 

  885. <td class="tabledata"/>
    886. 

  886. </tr>
    887. 

  887. 

  888. <tr>
    889. 

  889. <td class="tabledata">C8</td>
    890. 

  890. <td class="tabledata"><span style="font-family:Times">?</span>0.7217 (3)</td>
    891. 

  891. <td class="tabledata"><span style="font-family:Times">?</span>0.0826 (3)</td>
    892. 

  892. <td class="tabledata">0.0137 (2)</td>
    893. 

  893. <td class="tabledata">0.0647 (8)</td>
    894. 

  894. <td class="tabledata"/>
    895. 

  895. </tr>
    896. 

  896. 

  897. <tr>
    898. 

  898. <td class="tabledata">H8A</td>
    899. 

  899. <td class="tabledata"><span style="font-family:Times">?</span>0.7944</td>
    900. 

  900. <td class="tabledata"><span style="font-family:Times">?</span>0.0879</td>
    901. 

  901. <td class="tabledata"><span style="font-family:Times">?</span>0.0357</td>
    902. 

  902. <td class="tabledata">0.078*</td>
    903. 

  903. <td class="tabledata"/>
    904. 

  904. </tr>
    905. 

  905. 

  906. <tr>
    907. 

  907. <td class="tabledata">C9</td>
    908. 

  908. <td class="tabledata"><span style="font-family:Times">?</span>0.6408 (3)</td>
    909. 

  909. <td class="tabledata">0.0308 (3)</td>
    910. 

  910. <td class="tabledata">0.06162 (19)</td>
    911. 

  911. <td class="tabledata">0.0576 (8)</td>
    912. 

  912. <td class="tabledata"/>
    913. 

  913. </tr>
    914. 

  914. 

  915. <tr>
    916. 

  916. <td class="tabledata">C10</td>
    917. 

  917. <td class="tabledata"><span style="font-family:Times">?</span>0.5307 (3)</td>
    918. 

  918. <td class="tabledata">0.0460 (3)</td>
    919. 

  919. <td class="tabledata">0.13859 (19)</td>
    920. 

  920. <td class="tabledata">0.0560 (7)</td>
    921. 

  921. <td class="tabledata"/>
    922. 

  922. </tr>
    923. 

  923. 

  924. <tr>
    925. 

  925. <td class="tabledata">C11</td>
    926. 

  926. <td class="tabledata"><span style="font-family:Times">?</span>0.4505 (3)</td>
    927. 

  927. <td class="tabledata">0.1624 (3)</td>
    928. 

  928. <td class="tabledata">0.18105 (19)</td>
    929. 

  929. <td class="tabledata">0.0637 (8)</td>
    930. 

  930. <td class="tabledata"/>
    931. 

  931. </tr>
    932. 

  932. 

  933. <tr>
    934. 

  934. <td class="tabledata">C12</td>
    935. 

  935. <td class="tabledata"><span style="font-family:Times">?</span>0.4809 (4)</td>
    936. 

  936. <td class="tabledata">0.2564 (3)</td>
    937. 

  937. <td class="tabledata">0.1503 (2)</td>
    938. 

  938. <td class="tabledata">0.0739 (9)</td>
    939. 

  939. <td class="tabledata"/>
    940. 

  940. </tr>
    941. 

  941. 

  942. <tr>
    943. 

  943. <td class="tabledata">H12A</td>
    944. 

  944. <td class="tabledata"><span style="font-family:Times">?</span>0.4268</td>
    945. 

  945. <td class="tabledata">0.3322</td>
    946. 

  946. <td class="tabledata">0.1794</td>
    947. 

  947. <td class="tabledata">0.089*</td>
    948. 

  948. <td class="tabledata"/>
    949. 

  949. </tr>
    950. 

  950. 

  951. <tr>
    952. 

  952. <td class="tabledata">C13</td>
    953. 

  953. <td class="tabledata"><span style="font-family:Times">?</span>0.5930 (4)</td>
    954. 

  954. <td class="tabledata">0.2400 (3)</td>
    955. 

  955. <td class="tabledata">0.0753 (2)</td>
    956. 

  956. <td class="tabledata">0.0845 (10)</td>
    957. 

  957. <td class="tabledata"/>
    958. 

  958. </tr>
    959. 

  959. 

  960. <tr>
    961. 

  961. <td class="tabledata">H13A</td>
    962. 

  962. <td class="tabledata"><span style="font-family:Times">?</span>0.6141</td>
    963. 

  963. <td class="tabledata">0.3051</td>
    964. 

  964. <td class="tabledata">0.0555</td>
    965. 

  965. <td class="tabledata">0.101*</td>
    966. 

  966. <td class="tabledata"/>
    967. 

  967. </tr>
    968. 

  968. 

  969. <tr>
    970. 

  970. <td class="tabledata">C14</td>
    971. 

  971. <td class="tabledata"><span style="font-family:Times">?</span>0.6699 (4)</td>
    972. 

  972. <td class="tabledata">0.1308 (3)</td>
    973. 

  973. <td class="tabledata">0.0321 (2)</td>
    974. 

  974. <td class="tabledata">0.0747 (9)</td>
    975. 

  975. <td class="tabledata"/>
    976. 

  976. </tr>
    977. 

  977. 

  978. <tr>
    979. 

  979. <td class="tabledata">H14A</td>
    980. 

  980. <td class="tabledata"><span style="font-family:Times">?</span>0.7435</td>
    981. 

  981. <td class="tabledata">0.1206</td>
    982. 

  982. <td class="tabledata"><span style="font-family:Times">?</span>0.0180</td>
    983. 

  983. <td class="tabledata">0.090*</td>
    984. 

  984. <td class="tabledata"/>
    985. 

  985. </tr>
    986. 

  986. 

  987. <tr>
    988. 

  988. <td class="tabledata">C15</td>
    989. 

  989. <td class="tabledata"><span style="font-family:Times">?</span>0.2359 (5)</td>
    990. 

  990. <td class="tabledata">0.2698 (3)</td>
    991. 

  991. <td class="tabledata">0.2892 (3)</td>
    992. 

  992. <td class="tabledata">0.1144 (14)</td>
    993. 

  993. <td class="tabledata"/>
    994. 

  994. </tr>
    995. 

  995. 

  996. <tr>
    997. 

  997. <td class="tabledata">H15A</td>
    998. 

  998. <td class="tabledata"><span style="font-family:Times">?</span>0.1725</td>
    999. 

  999. <td class="tabledata">0.2635</td>
    1000. 

  1000. <td class="tabledata">0.3416</td>
    1001. 

  1001. <td class="tabledata">0.172*</td>
    1002. 

  1002. <td class="tabledata"/>
    1003. 

  1003. </tr>
    1004. 

  1004. 

  1005. <tr>
    1006. 

  1006. <td class="tabledata">H15B</td>
    1007. 

  1007. <td class="tabledata"><span style="font-family:Times">?</span>0.2783</td>
    1008. 

  1008. <td class="tabledata">0.3437</td>
    1009. 

  1009. <td class="tabledata">0.3059</td>
    1010. 

  1010. <td class="tabledata">0.172*</td>
    1011. 

  1011. <td class="tabledata"/>
    1012. 

  1012. </tr>
    1013. 

  1013. 

  1014. <tr>
    1015. 

  1015. <td class="tabledata">H15C</td>
    1016. 

  1016. <td class="tabledata"><span style="font-family:Times">?</span>0.1810</td>
    1017. 

  1017. <td class="tabledata">0.2697</td>
    1018. 

  1018. <td class="tabledata">0.2428</td>
    1019. 

  1019. <td class="tabledata">0.172*</td>
    1020. 

  1020. <td class="tabledata"/>
    1021. 

  1021. </tr>
    1022. 

  1022. 

  1023. <tr>
    1024. 

  1024. <td class="tabledata">C16</td>
    1025. 

  1025. <td class="tabledata"><span style="font-family:Times">?</span>0.9135 (4)</td>
    1026. 

  1026. <td class="tabledata">0.5296 (3)</td>
    1027. 

  1027. <td class="tabledata">0.3767 (3)</td>
    1028. 

  1028. <td class="tabledata">0.1022 (12)</td>
    1029. 

  1029. <td class="tabledata"/>
    1030. 

  1030. </tr>
    1031. 

  1031. 

  1032. <tr>
    1033. 

  1033. <td class="tabledata">H16A</td>
    1034. 

  1034. <td class="tabledata"><span style="font-family:Times">?</span>0.9594</td>
    1035. 

  1035. <td class="tabledata">0.5009</td>
    1036. 

  1036. <td class="tabledata">0.3135</td>
    1037. 

  1037. <td class="tabledata">0.153*</td>
    1038. 

  1038. <td class="tabledata"/>
    1039. 

  1039. </tr>
    1040. 

  1040. 

  1041. <tr>
    1042. 

  1042. <td class="tabledata">H16B</td>
    1043. 

  1043. <td class="tabledata"><span style="font-family:Times">?</span>0.8613</td>
    1044. 

  1044. <td class="tabledata">0.6089</td>
    1045. 

  1045. <td class="tabledata">0.3911</td>
    1046. 

  1046. <td class="tabledata">0.153*</td>
    1047. 

  1047. <td class="tabledata"/>
    1048. 

  1048. </tr>
    1049. 

  1049. 

  1050. <tr>
    1051. 

  1051. <td class="tabledata">H16C</td>
    1052. 

  1052. <td class="tabledata"><span style="font-family:Times">?</span>0.9865</td>
    1053. 

  1053. <td class="tabledata">0.5333</td>
    1054. 

  1054. <td class="tabledata">0.4133</td>
    1055. 

  1055. <td class="tabledata">0.153*</td>
    1056. 

  1056. <td class="tabledata"/>
    1057. 

  1057. </tr>
    1058. 

  1058. 

  1059. <tr>
    1060. 

  1060. <td class="tabledata">C17</td>
    1061. 

  1061. <td class="tabledata"><span style="font-family:Times">?</span>0.8083 (3)</td>
    1062. 

  1062. <td class="tabledata">0.4442 (3)</td>
    1063. 

  1063. <td class="tabledata">0.3958 (2)</td>
    1064. 

  1064. <td class="tabledata">0.0697 (9)</td>
    1065. 

  1065. <td class="tabledata"/>
    1066. 

  1066. </tr>
    1067. 

  1067. 

  1068. <tr>
    1069. 

  1069. <td class="tabledata">C18</td>
    1070. 

  1070. <td class="tabledata"><span style="font-family:Times">?</span>0.7874 (3)</td>
    1071. 

  1071. <td class="tabledata">0.3444 (3)</td>
    1072. 

  1072. <td class="tabledata">0.3287 (2)</td>
    1073. 

  1073. <td class="tabledata">0.0785 (10)</td>
    1074. 

  1074. <td class="tabledata"/>
    1075. 

  1075. </tr>
    1076. 

  1076. 

  1077. <tr>
    1078. 

  1078. <td class="tabledata">H18A</td>
    1079. 

  1079. <td class="tabledata"><span style="font-family:Times">?</span>0.8404</td>
    1080. 

  1080. <td class="tabledata">0.3271</td>
    1081. 

  1081. <td class="tabledata">0.2698</td>
    1082. 

  1082. <td class="tabledata">0.094*</td>
    1083. 

  1083. <td class="tabledata"/>
    1084. 

  1084. </tr>
    1085. 

  1085. 

  1086. <tr>
    1087. 

  1087. <td class="tabledata">C19</td>
    1088. 

  1088. <td class="tabledata"><span style="font-family:Times">?</span>0.6886 (3)</td>
    1089. 

  1089. <td class="tabledata">0.2687 (3)</td>
    1090. 

  1090. <td class="tabledata">0.3468 (2)</td>
    1091. 

  1091. <td class="tabledata">0.0693 (9)</td>
    1092. 

  1092. <td class="tabledata"/>
    1093. 

  1093. </tr>
    1094. 

  1094. 

  1095. <tr>
    1096. 

  1096. <td class="tabledata">H19A</td>
    1097. 

  1097. <td class="tabledata"><span style="font-family:Times">?</span>0.6755</td>
    1098. 

  1098. <td class="tabledata">0.2015</td>
    1099. 

  1099. <td class="tabledata">0.3002</td>
    1100. 

  1100. <td class="tabledata">0.083*</td>
    1101. 

  1101. <td class="tabledata"/>
    1102. 

  1102. </tr>
    1103. 

  1103. 

  1104. <tr>
    1105. 

  1105. <td class="tabledata">C20</td>
    1106. 

  1106. <td class="tabledata"><span style="font-family:Times">?</span>0.6098 (3)</td>
    1107. 

  1107. <td class="tabledata">0.2925 (3)</td>
    1108. 

  1108. <td class="tabledata">0.4334 (2)</td>
    1109. 

  1109. <td class="tabledata">0.0553 (7)</td>
    1110. 

  1110. <td class="tabledata"/>
    1111. 

  1111. </tr>
    1112. 

  1112. 

  1113. <tr>
    1114. 

  1114. <td class="tabledata">C21</td>
    1115. 

  1115. <td class="tabledata"><span style="font-family:Times">?</span>0.6300 (3)</td>
    1116. 

  1116. <td class="tabledata">0.3916 (3)</td>
    1117. 

  1117. <td class="tabledata">0.5016 (2)</td>
    1118. 

  1118. <td class="tabledata">0.0731 (9)</td>
    1119. 

  1119. <td class="tabledata"/>
    1120. 

  1120. </tr>
    1121. 

  1121. 

  1122. <tr>
    1123. 

  1123. <td class="tabledata">H21A</td>
    1124. 

  1124. <td class="tabledata"><span style="font-family:Times">?</span>0.5774</td>
    1125. 

  1125. <td class="tabledata">0.4087</td>
    1126. 

  1126. <td class="tabledata">0.5605</td>
    1127. 

  1127. <td class="tabledata">0.088*</td>
    1128. 

  1128. <td class="tabledata"/>
    1129. 

  1129. </tr>
    1130. 

  1130. 

  1131. <tr>
    1132. 

  1132. <td class="tabledata">C22</td>
    1133. 

  1133. <td class="tabledata"><span style="font-family:Times">?</span>0.7291 (4)</td>
    1134. 

  1134. <td class="tabledata">0.4658 (3)</td>
    1135. 

  1135. <td class="tabledata">0.4820 (2)</td>
    1136. 

  1136. <td class="tabledata">0.0789 (10)</td>
    1137. 

  1137. <td class="tabledata"/>
    1138. 

  1138. </tr>
    1139. 

  1139. 

  1140. <tr>
    1141. 

  1141. <td class="tabledata">H22A</td>
    1142. 

  1142. <td class="tabledata"><span style="font-family:Times">?</span>0.7428</td>
    1143. 

  1143. <td class="tabledata">0.5327</td>
    1144. 

  1144. <td class="tabledata">0.5287</td>
    1145. 

  1145. <td class="tabledata">0.095*</td>
    1146. 

  1146. <td class="tabledata"/>
    1147. 

  1147. </tr>
    1148. 

  1148. 

  1149. <tr>
    1150. 

  1150. <td class="tabledata">C23</td>
    1151. 

  1151. <td class="tabledata"><span style="font-family:Times">?</span>0.4469 (3)</td>
    1152. 

  1152. <td class="tabledata">0.2038 (3)</td>
    1153. 

  1153. <td class="tabledata">0.52612 (19)</td>
    1154. 

  1154. <td class="tabledata">0.0588 (8)</td>
    1155. 

  1155. <td class="tabledata"/>
    1156. 

  1156. </tr>
    1157. 

  1157. 

  1158. <tr>
    1159. 

  1159. <td class="tabledata">H23A</td>
    1160. 

  1160. <td class="tabledata"><span style="font-family:Times">?</span>0.4672</td>
    1161. 

  1161. <td class="tabledata">0.2573</td>
    1162. 

  1162. <td class="tabledata">0.5786</td>
    1163. 

  1163. <td class="tabledata">0.071*</td>
    1164. 

  1164. <td class="tabledata"/>
    1165. 

  1165. </tr>
    1166. 

  1166. 

  1167. <tr>
    1168. 

  1168. <td class="tabledata">C24</td>
    1169. 

  1169. <td class="tabledata"><span style="font-family:Times">?</span>0.3500 (3)</td>
    1170. 

  1170. <td class="tabledata">0.1207 (3)</td>
    1171. 

  1171. <td class="tabledata">0.53644 (19)</td>
    1172. 

  1172. <td class="tabledata">0.0538 (7)</td>
    1173. 

  1173. <td class="tabledata"/>
    1174. 

  1174. </tr>
    1175. 

  1175. 

  1176. <tr>
    1177. 

  1177. <td class="tabledata">C25</td>
    1178. 

  1178. <td class="tabledata"><span style="font-family:Times">?</span>0.2911 (3)</td>
    1179. 

  1179. <td class="tabledata">0.1204 (3)</td>
    1180. 

  1180. <td class="tabledata">0.6247 (2)</td>
    1181. 

  1181. <td class="tabledata">0.0752 (9)</td>
    1182. 

  1182. <td class="tabledata"/>
    1183. 

  1183. </tr>
    1184. 

  1184. 

  1185. <tr>
    1186. 

  1186. <td class="tabledata">H25A</td>
    1187. 

  1187. <td class="tabledata"><span style="font-family:Times">?</span>0.3154</td>
    1188. 

  1188. <td class="tabledata">0.1754</td>
    1189. 

  1189. <td class="tabledata">0.6751</td>
    1190. 

  1190. <td class="tabledata">0.090*</td>
    1191. 

  1191. <td class="tabledata"/>
    1192. 

  1192. </tr>
    1193. 

  1193. 

  1194. <tr>
    1195. 

  1195. <td class="tabledata">C26</td>
    1196. 

  1196. <td class="tabledata"><span style="font-family:Times">?</span>0.1992 (3)</td>
    1197. 

  1197. <td class="tabledata">0.0401 (3)</td>
    1198. 

  1198. <td class="tabledata">0.6363 (2)</td>
    1199. 

  1199. <td class="tabledata">0.0848 (10)</td>
    1200. 

  1200. <td class="tabledata"/>
    1201. 

  1201. </tr>
    1202. 

  1202. 

  1203. <tr>
    1204. 

  1204. <td class="tabledata">H26A</td>
    1205. 

  1205. <td class="tabledata"><span style="font-family:Times">?</span>0.1606</td>
    1206. 

  1206. <td class="tabledata">0.0404</td>
    1207. 

  1207. <td class="tabledata">0.6947</td>
    1208. 

  1208. <td class="tabledata">0.102*</td>
    1209. 

  1209. <td class="tabledata"/>
    1210. 

  1210. </tr>
    1211. 

  1211. 

  1212. <tr>
    1213. 

  1213. <td class="tabledata">C27</td>
    1214. 

  1214. <td class="tabledata"><span style="font-family:Times">?</span>0.1621 (3)</td>
    1215. 

  1215. <td class="tabledata"><span style="font-family:Times">?</span>0.0424 (3)</td>
    1216. 

  1216. <td class="tabledata">0.5618 (2)</td>
    1217. 

  1217. <td class="tabledata">0.0712 (9)</td>
    1218. 

  1218. <td class="tabledata"/>
    1219. 

  1219. </tr>
    1220. 

  1220. 

  1221. <tr>
    1222. 

  1222. <td class="tabledata">H27A</td>
    1223. 

  1223. <td class="tabledata"><span style="font-family:Times">?</span>0.0974</td>
    1224. 

  1224. <td class="tabledata"><span style="font-family:Times">?</span>0.0959</td>
    1225. 

  1225. <td class="tabledata">0.5712</td>
    1226. 

  1226. <td class="tabledata">0.085*</td>
    1227. 

  1227. <td class="tabledata"/>
    1228. 

  1228. </tr>
    1229. 

  1229. 

  1230. <tr>
    1231. 

  1231. <td class="tabledata">C28</td>
    1232. 

  1232. <td class="tabledata"><span style="font-family:Times">?</span>0.2183 (3)</td>
    1233. 

  1233. <td class="tabledata"><span style="font-family:Times">?</span>0.0470 (3)</td>
    1234. 

  1234. <td class="tabledata">0.4748 (2)</td>
    1235. 

  1235. <td class="tabledata">0.0597 (8)</td>
    1236. 

  1236. <td class="tabledata"/>
    1237. 

  1237. </tr>
    1238. 

  1238. 

  1239. <tr>
    1240. 

  1240. <td class="tabledata">C29</td>
    1241. 

  1241. <td class="tabledata"><span style="font-family:Times">?</span>0.3157 (3)</td>
    1242. 

  1242. <td class="tabledata">0.0361 (2)</td>
    1243. 

  1243. <td class="tabledata">0.45939 (19)</td>
    1244. 

  1244. <td class="tabledata">0.0517 (7)</td>
    1245. 

  1245. <td class="tabledata"/>
    1246. 

  1246. </tr>
    1247. 

  1247. 

  1248. <tr>
    1249. 

  1249. <td class="tabledata">C30</td>
    1250. 

  1250. <td class="tabledata"><span style="font-family:Times">?</span>0.1088 (4)</td>
    1251. 

  1251. <td class="tabledata"><span style="font-family:Times">?</span>0.2196 (3)</td>
    1252. 

  1252. <td class="tabledata">0.4021 (3)</td>
    1253. 

  1253. <td class="tabledata">0.0940 (11)</td>
    1254. 

  1254. <td class="tabledata"/>
    1255. 

  1255. </tr>
    1256. 

  1256. 

  1257. <tr>
    1258. 

  1258. <td class="tabledata">H30A</td>
    1259. 

  1259. <td class="tabledata"><span style="font-family:Times">?</span>0.0982</td>
    1260. 

  1260. <td class="tabledata"><span style="font-family:Times">?</span>0.2661</td>
    1261. 

  1261. <td class="tabledata">0.3421</td>
    1262. 

  1262. <td class="tabledata">0.141*</td>
    1263. 

  1263. <td class="tabledata"/>
    1264. 

  1264. </tr>
    1265. 

  1265. 

  1266. <tr>
    1267. 

  1267. <td class="tabledata">H30B</td>
    1268. 

  1268. <td class="tabledata"><span style="font-family:Times">?</span>0.1583</td>
    1269. 

  1269. <td class="tabledata"><span style="font-family:Times">?</span>0.2708</td>
    1270. 

  1270. <td class="tabledata">0.4284</td>
    1271. 

  1271. <td class="tabledata">0.141*</td>
    1272. 

  1272. <td class="tabledata"/>
    1273. 

  1273. </tr>
    1274. 

  1274. 

  1275. <tr>
    1276. 

  1276. <td class="tabledata">H30C</td>
    1277. 

  1277. <td class="tabledata"><span style="font-family:Times">?</span>0.0142</td>
    1278. 

  1278. <td class="tabledata"><span style="font-family:Times">?</span>0.1865</td>
    1279. 

  1279. <td class="tabledata">0.4394</td>
    1280. 

  1280. <td class="tabledata">0.141*</td>
    1281. 

  1281. <td class="tabledata"/>
    1282. 

  1282. </tr>
    1283. 

  1283. 

  1284. <tr>
    1285. 

  1285. <td class="tabledata">C31</td>
    1286. 

  1286. <td class="tabledata"><span style="font-family:Times">?</span>0.4834 (4)</td>
    1287. 

  1287. <td class="tabledata"><span style="font-family:Times">?</span>0.3275 (3)</td>
    1288. 

  1288. <td class="tabledata">0.2352 (2)</td>
    1289. 

  1289. <td class="tabledata">0.0683 (8)</td>
    1290. 

  1290. <td class="tabledata"/>
    1291. 

  1291. </tr>
    1292. 

  1292. 

  1293. <tr>
    1294. 

  1294. <td class="tabledata">C32</td>
    1295. 

  1295. <td class="tabledata"><span style="font-family:Times">?</span>0.0746 (3)</td>
    1296. 

  1296. <td class="tabledata"><span style="font-family:Times">?</span>0.0081 (3)</td>
    1297. 

  1297. <td class="tabledata">0.1911 (2)</td>
    1298. 

  1298. <td class="tabledata">0.0637 (8)</td>
    1299. 

  1299. <td class="tabledata"/>
    1300. 

  1300. </tr>
    1301. 

  1301. </table>
    1302. 

  1302. </div>
    1303. 

  1303. 

  1304. <!-- endtablewrapcoordsdiv -->
    1305. 

  1305. <div class="tablewrapadps"><a id="atomicdisplacement1" name="atomicdisplacement1"/> <span class="heading3">Atomic
    1306. 

  1306. displacement parameters (Å<sup>2</sup>)</span>
    1307. 

  1307. <!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    1308. 

  1308. <table style="table-layout:fixed" width="100%" summary="" class="tabledata">
    1309. 

  1309. <tr>
    1310. 

  1310. <td class="tabledata"/>
    1311. 

  1311. <td class="tabledata"><i>U</i><sup>11</sup></td>
    1312. 

  1312. <td class="tabledata"><i>U</i><sup>22</sup></td>
    1313. 

  1313. <td class="tabledata"><i>U</i><sup>33</sup></td>
    1314. 

  1314. <td class="tabledata"><i>U</i><sup>12</sup></td>
    1315. 

  1315. <td class="tabledata"><i>U</i><sup>13</sup></td>
    1316. 

  1316. <td class="tabledata"><i>U</i><sup>23</sup></td>
    1317. 

  1317. </tr>
    1318. 

  1318. 

  1319. <tr>
    1320. 

  1320. <td class="tabledata">Zn1</td>
    1321. 

  1321. <td class="tabledata">0.0619 (2)</td>
    1322. 

  1322. <td class="tabledata">0.0679 (3)</td>
    1323. 

  1323. <td class="tabledata">0.0583 (2)</td>
    1324. 

  1324. <td class="tabledata">0.01883 (18)</td>
    1325. 

  1325. <td class="tabledata">0.00923 (17)</td>
    1326. 

  1326. <td class="tabledata">0.02127 (19)</td>
    1327. 

  1327. </tr>
    1328. 

  1328. 

  1329. <tr>
    1330. 

  1330. <td class="tabledata">S1</td>
    1331. 

  1331. <td class="tabledata">0.1446 (10)</td>
    1332. 

  1332. <td class="tabledata">0.0636 (6)</td>
    1333. 

  1333. <td class="tabledata">0.1012 (8)</td>
    1334. 

  1334. <td class="tabledata">0.0019 (6)</td>
    1335. 

  1335. <td class="tabledata">0.0117 (7)</td>
    1336. 

  1336. <td class="tabledata">0.0221 (6)</td>
    1337. 

  1337. </tr>
    1338. 

  1338. 

  1339. <tr>
    1340. 

  1340. <td class="tabledata">O1</td>
    1341. 

  1341. <td class="tabledata">0.1016 (17)</td>
    1342. 

  1342. <td class="tabledata">0.0752 (16)</td>
    1343. 

  1343. <td class="tabledata">0.0740 (15)</td>
    1344. 

  1344. <td class="tabledata"><span style="font-family:Times">?</span>0.0010 (14)</td>
    1345. 

  1345. <td class="tabledata"><span style="font-family:Times">?</span>0.0175 (13)</td>
    1346. 

  1346. <td class="tabledata">0.0231 (13)</td>
    1347. 

  1347. </tr>
    1348. 

  1348. 

  1349. <tr>
    1350. 

  1350. <td class="tabledata">N1</td>
    1351. 

  1351. <td class="tabledata">0.091 (2)</td>
    1352. 

  1352. <td class="tabledata">0.068 (2)</td>
    1353. 

  1353. <td class="tabledata">0.094 (2)</td>
    1354. 

  1354. <td class="tabledata">0.0205 (17)</td>
    1355. 

  1355. <td class="tabledata">0.0160 (17)</td>
    1356. 

  1356. <td class="tabledata">0.0277 (17)</td>
    1357. 

  1357. </tr>
    1358. 

  1358. 

  1359. <tr>
    1360. 

  1360. <td class="tabledata">C1</td>
    1361. 

  1361. <td class="tabledata">0.181 (4)</td>
    1362. 

  1362. <td class="tabledata">0.076 (3)</td>
    1363. 

  1363. <td class="tabledata">0.079 (3)</td>
    1364. 

  1364. <td class="tabledata"><span style="font-family:Times">?</span>0.021 (3)</td>
    1365. 

  1365. <td class="tabledata">0.019 (3)</td>
    1366. 

  1366. <td class="tabledata">0.013 (2)</td>
    1367. 

  1367. </tr>
    1368. 

  1368. 

  1369. <tr>
    1370. 

  1370. <td class="tabledata">S2</td>
    1371. 

  1371. <td class="tabledata">0.0689 (5)</td>
    1372. 

  1372. <td class="tabledata">0.1181 (8)</td>
    1373. 

  1373. <td class="tabledata">0.0777 (6)</td>
    1374. 

  1374. <td class="tabledata">0.0175 (5)</td>
    1375. 

  1375. <td class="tabledata">0.0134 (4)</td>
    1376. 

  1376. <td class="tabledata">0.0466 (6)</td>
    1377. 

  1377. </tr>
    1378. 

  1378. 

  1379. <tr>
    1380. 

  1380. <td class="tabledata">O2</td>
    1381. 

  1381. <td class="tabledata">0.0714 (13)</td>
    1382. 

  1382. <td class="tabledata">0.0656 (13)</td>
    1383. 

  1383. <td class="tabledata">0.0665 (13)</td>
    1384. 

  1384. <td class="tabledata">0.0135 (11)</td>
    1385. 

  1385. <td class="tabledata"><span style="font-family:Times">?</span>0.0055 (10)</td>
    1386. 

  1386. <td class="tabledata">0.0249 (11)</td>
    1387. 

  1387. </tr>
    1388. 

  1388. 

  1389. <tr>
    1390. 

  1390. <td class="tabledata">N2</td>
    1391. 

  1391. <td class="tabledata">0.0642 (19)</td>
    1392. 

  1392. <td class="tabledata">0.113 (2)</td>
    1393. 

  1393. <td class="tabledata">0.080 (2)</td>
    1394. 

  1394. <td class="tabledata">0.0202 (17)</td>
    1395. 

  1395. <td class="tabledata">0.0182 (16)</td>
    1396. 

  1396. <td class="tabledata">0.0419 (18)</td>
    1397. 

  1397. </tr>
    1398. 

  1398. 

  1399. <tr>
    1400. 

  1400. <td class="tabledata">C2</td>
    1401. 

  1401. <td class="tabledata">0.120 (3)</td>
    1402. 

  1402. <td class="tabledata">0.080 (3)</td>
    1403. 

  1403. <td class="tabledata">0.055 (2)</td>
    1404. 

  1404. <td class="tabledata">0.003 (3)</td>
    1405. 

  1405. <td class="tabledata">0.016 (2)</td>
    1406. 

  1406. <td class="tabledata">0.022 (2)</td>
    1407. 

  1407. </tr>
    1408. 

  1408. 

  1409. <tr>
    1410. 

  1410. <td class="tabledata">N3</td>
    1411. 

  1411. <td class="tabledata">0.0606 (15)</td>
    1412. 

  1412. <td class="tabledata">0.0660 (18)</td>
    1413. 

  1413. <td class="tabledata">0.0606 (16)</td>
    1414. 

  1414. <td class="tabledata">0.0136 (14)</td>
    1415. 

  1415. <td class="tabledata"><span style="font-family:Times">?</span>0.0010 (12)</td>
    1416. 

  1416. <td class="tabledata">0.0167 (14)</td>
    1417. 

  1417. </tr>
    1418. 

  1418. 

  1419. <tr>
    1420. 

  1420. <td class="tabledata">O3</td>
    1421. 

  1421. <td class="tabledata">0.0943 (16)</td>
    1422. 

  1422. <td class="tabledata">0.0877 (16)</td>
    1423. 

  1423. <td class="tabledata">0.0815 (16)</td>
    1424. 

  1424. <td class="tabledata">0.0515 (13)</td>
    1425. 

  1425. <td class="tabledata">0.0201 (13)</td>
    1426. 

  1426. <td class="tabledata">0.0313 (13)</td>
    1427. 

  1427. </tr>
    1428. 

  1428. 

  1429. <tr>
    1430. 

  1430. <td class="tabledata">C3</td>
    1431. 

  1431. <td class="tabledata">0.122 (3)</td>
    1432. 

  1432. <td class="tabledata">0.071 (3)</td>
    1433. 

  1433. <td class="tabledata">0.107 (3)</td>
    1434. 

  1434. <td class="tabledata">0.029 (3)</td>
    1435. 

  1435. <td class="tabledata">0.024 (3)</td>
    1436. 

  1436. <td class="tabledata">0.038 (2)</td>
    1437. 

  1437. </tr>
    1438. 

  1438. 

  1439. <tr>
    1440. 

  1440. <td class="tabledata">O4</td>
    1441. 

  1441. <td class="tabledata">0.0726 (13)</td>
    1442. 

  1442. <td class="tabledata">0.0752 (13)</td>
    1443. 

  1443. <td class="tabledata">0.0516 (12)</td>
    1444. 

  1444. <td class="tabledata">0.0326 (11)</td>
    1445. 

  1445. <td class="tabledata">0.0090 (10)</td>
    1446. 

  1446. <td class="tabledata">0.0234 (10)</td>
    1447. 

  1447. </tr>
    1448. 

  1448. 

  1449. <tr>
    1450. 

  1450. <td class="tabledata">N4</td>
    1451. 

  1451. <td class="tabledata">0.0544 (14)</td>
    1452. 

  1452. <td class="tabledata">0.0630 (15)</td>
    1453. 

  1453. <td class="tabledata">0.0558 (15)</td>
    1454. 

  1454. <td class="tabledata">0.0177 (12)</td>
    1455. 

  1455. <td class="tabledata">0.0084 (12)</td>
    1456. 

  1456. <td class="tabledata">0.0198 (12)</td>
    1457. 

  1457. </tr>
    1458. 

  1458. 

  1459. <tr>
    1460. 

  1460. <td class="tabledata">C4</td>
    1461. 

  1461. <td class="tabledata">0.088 (2)</td>
    1462. 

  1462. <td class="tabledata">0.076 (3)</td>
    1463. 

  1463. <td class="tabledata">0.092 (3)</td>
    1464. 

  1464. <td class="tabledata">0.022 (2)</td>
    1465. 

  1465. <td class="tabledata">0.007 (2)</td>
    1466. 

  1466. <td class="tabledata">0.031 (2)</td>
    1467. 

  1467. </tr>
    1468. 

  1468. 

  1469. <tr>
    1470. 

  1470. <td class="tabledata">C5</td>
    1471. 

  1471. <td class="tabledata">0.075 (2)</td>
    1472. 

  1472. <td class="tabledata">0.067 (2)</td>
    1473. 

  1473. <td class="tabledata">0.0516 (18)</td>
    1474. 

  1474. <td class="tabledata">0.0148 (18)</td>
    1475. 

  1475. <td class="tabledata">0.0102 (16)</td>
    1476. 

  1476. <td class="tabledata">0.0172 (17)</td>
    1477. 

  1477. </tr>
    1478. 

  1478. 

  1479. <tr>
    1480. 

  1480. <td class="tabledata">C6</td>
    1481. 

  1481. <td class="tabledata">0.083 (2)</td>
    1482. 

  1482. <td class="tabledata">0.073 (2)</td>
    1483. 

  1483. <td class="tabledata">0.066 (2)</td>
    1484. 

  1484. <td class="tabledata">0.0131 (19)</td>
    1485. 

  1485. <td class="tabledata"><span style="font-family:Times">?</span>0.0044 (18)</td>
    1486. 

  1486. <td class="tabledata">0.0201 (19)</td>
    1487. 

  1487. </tr>
    1488. 

  1488. 

  1489. <tr>
    1490. 

  1490. <td class="tabledata">C7</td>
    1491. 

  1491. <td class="tabledata">0.090 (3)</td>
    1492. 

  1492. <td class="tabledata">0.085 (3)</td>
    1493. 

  1493. <td class="tabledata">0.069 (2)</td>
    1494. 

  1494. <td class="tabledata"><span style="font-family:Times">?</span>0.003 (2)</td>
    1495. 

  1495. <td class="tabledata"><span style="font-family:Times">?</span>0.0082 (19)</td>
    1496. 

  1496. <td class="tabledata">0.024 (2)</td>
    1497. 

  1497. </tr>
    1498. 

  1498. 

  1499. <tr>
    1500. 

  1500. <td class="tabledata">C8</td>
    1501. 

  1501. <td class="tabledata">0.0597 (19)</td>
    1502. 

  1502. <td class="tabledata">0.078 (2)</td>
    1503. 

  1503. <td class="tabledata">0.0592 (19)</td>
    1504. 

  1504. <td class="tabledata">0.0197 (18)</td>
    1505. 

  1505. <td class="tabledata">0.0087 (15)</td>
    1506. 

  1506. <td class="tabledata">0.0245 (18)</td>
    1507. 

  1507. </tr>
    1508. 

  1508. 

  1509. <tr>
    1510. 

  1510. <td class="tabledata">C9</td>
    1511. 

  1511. <td class="tabledata">0.0566 (18)</td>
    1512. 

  1512. <td class="tabledata">0.066 (2)</td>
    1513. 

  1513. <td class="tabledata">0.0523 (18)</td>
    1514. 

  1514. <td class="tabledata">0.0186 (16)</td>
    1515. 

  1515. <td class="tabledata">0.0108 (14)</td>
    1516. 

  1516. <td class="tabledata">0.0198 (16)</td>
    1517. 

  1517. </tr>
    1518. 

  1518. 

  1519. <tr>
    1520. 

  1520. <td class="tabledata">C10</td>
    1521. 

  1521. <td class="tabledata">0.0558 (18)</td>
    1522. 

  1522. <td class="tabledata">0.062 (2)</td>
    1523. 

  1523. <td class="tabledata">0.0538 (18)</td>
    1524. 

  1524. <td class="tabledata">0.0172 (16)</td>
    1525. 

  1525. <td class="tabledata">0.0166 (15)</td>
    1526. 

  1526. <td class="tabledata">0.0193 (16)</td>
    1527. 

  1527. </tr>
    1528. 

  1528. 

  1529. <tr>
    1530. 

  1530. <td class="tabledata">C11</td>
    1531. 

  1531. <td class="tabledata">0.070 (2)</td>
    1532. 

  1532. <td class="tabledata">0.072 (2)</td>
    1533. 

  1533. <td class="tabledata">0.0499 (18)</td>
    1534. 

  1534. <td class="tabledata">0.0168 (18)</td>
    1535. 

  1535. <td class="tabledata">0.0112 (16)</td>
    1536. 

  1536. <td class="tabledata">0.0187 (17)</td>
    1537. 

  1537. </tr>
    1538. 

  1538. 

  1539. <tr>
    1540. 

  1540. <td class="tabledata">C12</td>
    1541. 

  1541. <td class="tabledata">0.090 (2)</td>
    1542. 

  1542. <td class="tabledata">0.061 (2)</td>
    1543. 

  1543. <td class="tabledata">0.070 (2)</td>
    1544. 

  1544. <td class="tabledata">0.0114 (18)</td>
    1545. 

  1545. <td class="tabledata">0.0161 (19)</td>
    1546. 

  1546. <td class="tabledata">0.0201 (18)</td>
    1547. 

  1547. </tr>
    1548. 

  1548. 

  1549. <tr>
    1550. 

  1550. <td class="tabledata">C13</td>
    1551. 

  1551. <td class="tabledata">0.104 (3)</td>
    1552. 

  1552. <td class="tabledata">0.078 (3)</td>
    1553. 

  1553. <td class="tabledata">0.082 (2)</td>
    1554. 

  1554. <td class="tabledata">0.025 (2)</td>
    1555. 

  1555. <td class="tabledata">0.008 (2)</td>
    1556. 

  1556. <td class="tabledata">0.043 (2)</td>
    1557. 

  1557. </tr>
    1558. 

  1558. 

  1559. <tr>
    1560. 

  1560. <td class="tabledata">C14</td>
    1561. 

  1561. <td class="tabledata">0.078 (2)</td>
    1562. 

  1562. <td class="tabledata">0.078 (2)</td>
    1563. 

  1563. <td class="tabledata">0.070 (2)</td>
    1564. 

  1564. <td class="tabledata">0.018 (2)</td>
    1565. 

  1565. <td class="tabledata">0.0012 (18)</td>
    1566. 

  1566. <td class="tabledata">0.032 (2)</td>
    1567. 

  1567. </tr>
    1568. 

  1568. 

  1569. <tr>
    1570. 

  1570. <td class="tabledata">C15</td>
    1571. 

  1571. <td class="tabledata">0.125 (3)</td>
    1572. 

  1572. <td class="tabledata">0.088 (3)</td>
    1573. 

  1573. <td class="tabledata">0.098 (3)</td>
    1574. 

  1574. <td class="tabledata"><span style="font-family:Times">?</span>0.015 (3)</td>
    1575. 

  1575. <td class="tabledata"><span style="font-family:Times">?</span>0.027 (3)</td>
    1576. 

  1576. <td class="tabledata">0.015 (2)</td>
    1577. 

  1577. </tr>
    1578. 

  1578. 

  1579. <tr>
    1580. 

  1580. <td class="tabledata">C16</td>
    1581. 

  1581. <td class="tabledata">0.097 (3)</td>
    1582. 

  1582. <td class="tabledata">0.097 (3)</td>
    1583. 

  1583. <td class="tabledata">0.128 (3)</td>
    1584. 

  1584. <td class="tabledata">0.054 (2)</td>
    1585. 

  1585. <td class="tabledata">0.022 (2)</td>
    1586. 

  1586. <td class="tabledata">0.050 (2)</td>
    1587. 

  1587. </tr>
    1588. 

  1588. 

  1589. <tr>
    1590. 

  1590. <td class="tabledata">C17</td>
    1591. 

  1591. <td class="tabledata">0.068 (2)</td>
    1592. 

  1592. <td class="tabledata">0.064 (2)</td>
    1593. 

  1593. <td class="tabledata">0.088 (3)</td>
    1594. 

  1594. <td class="tabledata">0.0226 (17)</td>
    1595. 

  1595. <td class="tabledata">0.0203 (19)</td>
    1596. 

  1596. <td class="tabledata">0.0348 (19)</td>
    1597. 

  1597. </tr>
    1598. 

  1598. 

  1599. <tr>
    1600. 

  1600. <td class="tabledata">C18</td>
    1601. 

  1601. <td class="tabledata">0.083 (2)</td>
    1602. 

  1602. <td class="tabledata">0.081 (2)</td>
    1603. 

  1603. <td class="tabledata">0.074 (2)</td>
    1604. 

  1604. <td class="tabledata">0.0329 (19)</td>
    1605. 

  1605. <td class="tabledata">0.0022 (18)</td>
    1606. 

  1606. <td class="tabledata">0.031 (2)</td>
    1607. 

  1607. </tr>
    1608. 

  1608. 

  1609. <tr>
    1610. 

  1610. <td class="tabledata">C19</td>
    1611. 

  1611. <td class="tabledata">0.079 (2)</td>
    1612. 

  1612. <td class="tabledata">0.067 (2)</td>
    1613. 

  1613. <td class="tabledata">0.063 (2)</td>
    1614. 

  1614. <td class="tabledata">0.0283 (17)</td>
    1615. 

  1615. <td class="tabledata">0.0113 (17)</td>
    1616. 

  1616. <td class="tabledata">0.0206 (17)</td>
    1617. 

  1617. </tr>
    1618. 

  1618. 

  1619. <tr>
    1620. 

  1620. <td class="tabledata">C20</td>
    1621. 

  1621. <td class="tabledata">0.0506 (17)</td>
    1622. 

  1622. <td class="tabledata">0.0580 (18)</td>
    1623. 

  1623. <td class="tabledata">0.0591 (19)</td>
    1624. 

  1624. <td class="tabledata">0.0140 (14)</td>
    1625. 

  1625. <td class="tabledata">0.0116 (14)</td>
    1626. 

  1626. <td class="tabledata">0.0195 (15)</td>
    1627. 

  1627. </tr>
    1628. 

  1628. 

  1629. <tr>
    1630. 

  1630. <td class="tabledata">C21</td>
    1631. 

  1631. <td class="tabledata">0.085 (2)</td>
    1632. 

  1632. <td class="tabledata">0.071 (2)</td>
    1633. 

  1633. <td class="tabledata">0.061 (2)</td>
    1634. 

  1634. <td class="tabledata">0.0288 (18)</td>
    1635. 

  1635. <td class="tabledata">0.0097 (17)</td>
    1636. 

  1636. <td class="tabledata">0.0163 (17)</td>
    1637. 

  1637. </tr>
    1638. 

  1638. 

  1639. <tr>
    1640. 

  1640. <td class="tabledata">C22</td>
    1641. 

  1641. <td class="tabledata">0.090 (2)</td>
    1642. 

  1642. <td class="tabledata">0.068 (2)</td>
    1643. 

  1643. <td class="tabledata">0.080 (2)</td>
    1644. 

  1644. <td class="tabledata">0.0352 (19)</td>
    1645. 

  1645. <td class="tabledata">0.024 (2)</td>
    1646. 

  1646. <td class="tabledata">0.0155 (19)</td>
    1647. 

  1647. </tr>
    1648. 

  1648. 

  1649. <tr>
    1650. 

  1650. <td class="tabledata">C23</td>
    1651. 

  1651. <td class="tabledata">0.0541 (17)</td>
    1652. 

  1652. <td class="tabledata">0.066 (2)</td>
    1653. 

  1653. <td class="tabledata">0.0525 (18)</td>
    1654. 

  1654. <td class="tabledata">0.0096 (15)</td>
    1655. 

  1655. <td class="tabledata">0.0063 (14)</td>
    1656. 

  1656. <td class="tabledata">0.0161 (15)</td>
    1657. 

  1657. </tr>
    1658. 

  1658. 

  1659. <tr>
    1660. 

  1660. <td class="tabledata">C24</td>
    1661. 

  1661. <td class="tabledata">0.0471 (16)</td>
    1662. 

  1662. <td class="tabledata">0.0634 (19)</td>
    1663. 

  1663. <td class="tabledata">0.0547 (18)</td>
    1664. 

  1664. <td class="tabledata">0.0124 (14)</td>
    1665. 

  1665. <td class="tabledata">0.0087 (14)</td>
    1666. 

  1666. <td class="tabledata">0.0237 (15)</td>
    1667. 

  1667. </tr>
    1668. 

  1668. 

  1669. <tr>
    1670. 

  1670. <td class="tabledata">C25</td>
    1671. 

  1671. <td class="tabledata">0.072 (2)</td>
    1672. 

  1672. <td class="tabledata">0.100 (3)</td>
    1673. 

  1673. <td class="tabledata">0.054 (2)</td>
    1674. 

  1674. <td class="tabledata">0.0248 (19)</td>
    1675. 

  1675. <td class="tabledata">0.0032 (16)</td>
    1676. 

  1676. <td class="tabledata">0.0266 (18)</td>
    1677. 

  1677. </tr>
    1678. 

  1678. 

  1679. <tr>
    1680. 

  1680. <td class="tabledata">C26</td>
    1681. 

  1681. <td class="tabledata">0.078 (2)</td>
    1682. 

  1682. <td class="tabledata">0.117 (3)</td>
    1683. 

  1683. <td class="tabledata">0.068 (2)</td>
    1684. 

  1684. <td class="tabledata">0.026 (2)</td>
    1685. 

  1685. <td class="tabledata"><span style="font-family:Times">?</span>0.0025 (19)</td>
    1686. 

  1686. <td class="tabledata">0.047 (2)</td>
    1687. 

  1687. </tr>
    1688. 

  1688. 

  1689. <tr>
    1690. 

  1690. <td class="tabledata">C27</td>
    1691. 

  1691. <td class="tabledata">0.060 (2)</td>
    1692. 

  1692. <td class="tabledata">0.082 (2)</td>
    1693. 

  1693. <td class="tabledata">0.086 (3)</td>
    1694. 

  1694. <td class="tabledata">0.0214 (17)</td>
    1695. 

  1695. <td class="tabledata">0.0061 (18)</td>
    1696. 

  1696. <td class="tabledata">0.049 (2)</td>
    1697. 

  1697. </tr>
    1698. 

  1698. 

  1699. <tr>
    1700. 

  1700. <td class="tabledata">C28</td>
    1701. 

  1701. <td class="tabledata">0.0475 (17)</td>
    1702. 

  1702. <td class="tabledata">0.068 (2)</td>
    1703. 

  1703. <td class="tabledata">0.071 (2)</td>
    1704. 

  1704. <td class="tabledata">0.0136 (15)</td>
    1705. 

  1705. <td class="tabledata">0.0096 (15)</td>
    1706. 

  1706. <td class="tabledata">0.0323 (18)</td>
    1707. 

  1707. </tr>
    1708. 

  1708. 

  1709. <tr>
    1710. 

  1710. <td class="tabledata">C29</td>
    1711. 

  1711. <td class="tabledata">0.0443 (16)</td>
    1712. 

  1712. <td class="tabledata">0.0576 (18)</td>
    1713. 

  1713. <td class="tabledata">0.0579 (19)</td>
    1714. 

  1714. <td class="tabledata">0.0072 (14)</td>
    1715. 

  1715. <td class="tabledata">0.0064 (14)</td>
    1716. 

  1716. <td class="tabledata">0.0271 (15)</td>
    1717. 

  1717. </tr>
    1718. 

  1718. 

  1719. <tr>
    1720. 

  1720. <td class="tabledata">C30</td>
    1721. 

  1721. <td class="tabledata">0.096 (3)</td>
    1722. 

  1722. <td class="tabledata">0.082 (2)</td>
    1723. 

  1723. <td class="tabledata">0.124 (3)</td>
    1724. 

  1724. <td class="tabledata">0.048 (2)</td>
    1725. 

  1725. <td class="tabledata">0.035 (2)</td>
    1726. 

  1726. <td class="tabledata">0.047 (2)</td>
    1727. 

  1727. </tr>
    1728. 

  1728. 

  1729. <tr>
    1730. 

  1730. <td class="tabledata">C31</td>
    1731. 

  1731. <td class="tabledata">0.084 (2)</td>
    1732. 

  1732. <td class="tabledata">0.0578 (18)</td>
    1733. 

  1733. <td class="tabledata">0.0596 (19)</td>
    1734. 

  1734. <td class="tabledata">0.0249 (14)</td>
    1735. 

  1735. <td class="tabledata">0.0083 (17)</td>
    1736. 

  1736. <td class="tabledata">0.0139 (17)</td>
    1737. 

  1737. </tr>
    1738. 

  1738. 

  1739. <tr>
    1740. 

  1740. <td class="tabledata">C32</td>
    1741. 

  1741. <td class="tabledata">0.0567 (19)</td>
    1742. 

  1742. <td class="tabledata">0.078 (2)</td>
    1743. 

  1743. <td class="tabledata">0.059 (2)</td>
    1744. 

  1744. <td class="tabledata">0.0226 (17)</td>
    1745. 

  1745. <td class="tabledata">0.0036 (14)</td>
    1746. 

  1746. <td class="tabledata">0.0260 (16)</td>
    1747. 

  1747. </tr>
    1748. 

  1748. </table>
    1749. 

  1749. </div>
    1750. 

  1750. 

  1751. <!-- endtablewrapadpsdiv -->
    1752. 

  1752. <div class="tablewrapgeomlong"><a id="geometricparameters1" name="geometricparameters1"/> <span class="heading3">Geometric
    1753. 

  1753. parameters (Å, °)</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span>
    1754. 

  1754. <!-- endtoplinkspan --><!-- startgeom -->
    1755. 

  1755. <table style="table-layout:fixed" width="100%" summary="" class="tabledata">
    1756. 

  1756. <colgroup span="4">
    1757. 

  1757. <col width="30%"/>
    1758. 

  1758. <col width="20%"/>
    1759. 

  1759. <col width="30%"/>
    1760. 

  1760. <col width="20%"/></colgroup>
    1761. 

  1761. 

  1762. <tr>
    1763. 

  1763. <td width="30%" class="tabledata">Zn1-N2</td>
    1764. 

  1764. <td width="20%" class="tabledata">1.928 (3)</td>
    1765. 

  1765. <td width="30%" class="tabledata">C10-C11</td>
    1766. 

  1766. <td width="20%" class="tabledata">1.415 (4)</td>
    1767. 

  1767. </tr>
    1768. 

  1768. 

  1769. <tr>
    1770. 

  1770. <td width="30%" class="tabledata">Zn1-O4</td>
    1771. 

  1771. <td width="20%" class="tabledata">1.9531 (19)</td>
    1772. 

  1772. <td width="30%" class="tabledata">C11-C12</td>
    1773. 

  1773. <td width="20%" class="tabledata">1.362 (4)</td>
    1774. 

  1774. </tr>
    1775. 

  1775. 

  1776. <tr>
    1777. 

  1777. <td width="30%" class="tabledata">Zn1-N1</td>
    1778. 

  1778. <td width="20%" class="tabledata">1.965 (3)</td>
    1779. 

  1779. <td width="30%" class="tabledata">C12-C13</td>
    1780. 

  1780. <td width="20%" class="tabledata">1.400 (4)</td>
    1781. 

  1781. </tr>
    1782. 

  1782. 

  1783. <tr>
    1784. 

  1784. <td width="30%" class="tabledata">Zn1-O2</td>
    1785. 

  1785. <td width="20%" class="tabledata">1.9837 (18)</td>
    1786. 

  1786. <td width="30%" class="tabledata">C12-H12A</td>
    1787. 

  1787. <td width="20%" class="tabledata">0.9300</td>
    1788. 

  1788. </tr>
    1789. 

  1789. 

  1790. <tr>
    1791. 

  1791. <td width="30%" class="tabledata">S1-C31</td>
    1792. 

  1792. <td width="20%" class="tabledata">1.609 (4)</td>
    1793. 

  1793. <td width="30%" class="tabledata">C13-C14</td>
    1794. 

  1794. <td width="20%" class="tabledata">1.339 (4)</td>
    1795. 

  1795. </tr>
    1796. 

  1796. 

  1797. <tr>
    1798. 

  1798. <td width="30%" class="tabledata">O1-C11</td>
    1799. 

  1799. <td width="20%" class="tabledata">1.367 (3)</td>
    1800. 

  1800. <td width="30%" class="tabledata">C13-H13A</td>
    1801. 

  1801. <td width="20%" class="tabledata">0.9300</td>
    1802. 

  1802. </tr>
    1803. 

  1803. 

  1804. <tr>
    1805. 

  1805. <td width="30%" class="tabledata">O1-C15</td>
    1806. 

  1806. <td width="20%" class="tabledata">1.414 (4)</td>
    1807. 

  1807. <td width="30%" class="tabledata">C14-H14A</td>
    1808. 

  1808. <td width="20%" class="tabledata">0.9300</td>
    1809. 

  1809. </tr>
    1810. 

  1810. 

  1811. <tr>
    1812. 

  1812. <td width="30%" class="tabledata">N1-C31</td>
    1813. 

  1813. <td width="20%" class="tabledata">1.160 (4)</td>
    1814. 

  1814. <td width="30%" class="tabledata">C15-H15A</td>
    1815. 

  1815. <td width="20%" class="tabledata">0.9600</td>
    1816. 

  1816. </tr>
    1817. 

  1817. 

  1818. <tr>
    1819. 

  1819. <td width="30%" class="tabledata">C1-C2</td>
    1820. 

  1820. <td width="20%" class="tabledata">1.514 (5)</td>
    1821. 

  1821. <td width="30%" class="tabledata">C15-H15B</td>
    1822. 

  1822. <td width="20%" class="tabledata">0.9600</td>
    1823. 

  1823. </tr>
    1824. 

  1824. 

  1825. <tr>
    1826. 

  1826. <td width="30%" class="tabledata">C1-H1B</td>
    1827. 

  1827. <td width="20%" class="tabledata">0.9600</td>
    1828. 

  1828. <td width="30%" class="tabledata">C15-H15C</td>
    1829. 

  1829. <td width="20%" class="tabledata">0.9600</td>
    1830. 

  1830. </tr>
    1831. 

  1831. 

  1832. <tr>
    1833. 

  1833. <td width="30%" class="tabledata">C1-H1C</td>
    1834. 

  1834. <td width="20%" class="tabledata">0.9600</td>
    1835. 

  1835. <td width="30%" class="tabledata">C16-C17</td>
    1836. 

  1836. <td width="20%" class="tabledata">1.516 (4)</td>
    1837. 

  1837. </tr>
    1838. 

  1838. 

  1839. <tr>
    1840. 

  1840. <td width="30%" class="tabledata">C1-H1D</td>
    1841. 

  1841. <td width="20%" class="tabledata">0.9600</td>
    1842. 

  1842. <td width="30%" class="tabledata">C16-H16A</td>
    1843. 

  1843. <td width="20%" class="tabledata">0.9600</td>
    1844. 

  1844. </tr>
    1845. 

  1845. 

  1846. <tr>
    1847. 

  1847. <td width="30%" class="tabledata">S2-C32</td>
    1848. 

  1848. <td width="20%" class="tabledata">1.617 (4)</td>
    1849. 

  1849. <td width="30%" class="tabledata">C16-H16B</td>
    1850. 

  1850. <td width="20%" class="tabledata">0.9600</td>
    1851. 

  1851. </tr>
    1852. 

  1852. 

  1853. <tr>
    1854. 

  1854. <td width="30%" class="tabledata">O2-C10</td>
    1855. 

  1855. <td width="20%" class="tabledata">1.308 (3)</td>
    1856. 

  1856. <td width="30%" class="tabledata">C16-H16C</td>
    1857. 

  1857. <td width="20%" class="tabledata">0.9600</td>
    1858. 

  1858. </tr>
    1859. 

  1859. 

  1860. <tr>
    1861. 

  1861. <td width="30%" class="tabledata">N2-C32</td>
    1862. 

  1862. <td width="20%" class="tabledata">1.147 (4)</td>
    1863. 

  1863. <td width="30%" class="tabledata">C17-C18</td>
    1864. 

  1864. <td width="20%" class="tabledata">1.367 (4)</td>
    1865. 

  1865. </tr>
    1866. 

  1866. 

  1867. <tr>
    1868. 

  1868. <td width="30%" class="tabledata">C2-C7</td>
    1869. 

  1869. <td width="20%" class="tabledata">1.361 (5)</td>
    1870. 

  1870. <td width="30%" class="tabledata">C17-C22</td>
    1871. 

  1871. <td width="20%" class="tabledata">1.373 (4)</td>
    1872. 

  1872. </tr>
    1873. 

  1873. 

  1874. <tr>
    1875. 

  1875. <td width="30%" class="tabledata">C2-C3</td>
    1876. 

  1876. <td width="20%" class="tabledata">1.377 (5)</td>
    1877. 

  1877. <td width="30%" class="tabledata">C18-C19</td>
    1878. 

  1878. <td width="20%" class="tabledata">1.383 (4)</td>
    1879. 

  1879. </tr>
    1880. 

  1880. 

  1881. <tr>
    1882. 

  1882. <td width="30%" class="tabledata">N3-C8</td>
    1883. 

  1883. <td width="20%" class="tabledata">1.293 (3)</td>
    1884. 

  1884. <td width="30%" class="tabledata">C18-H18A</td>
    1885. 

  1885. <td width="20%" class="tabledata">0.9300</td>
    1886. 

  1886. </tr>
    1887. 

  1887. 

  1888. <tr>
    1889. 

  1889. <td width="30%" class="tabledata">N3-C5</td>
    1890. 

  1890. <td width="20%" class="tabledata">1.421 (4)</td>
    1891. 

  1891. <td width="30%" class="tabledata">C19-C20</td>
    1892. 

  1892. <td width="20%" class="tabledata">1.374 (4)</td>
    1893. 

  1893. </tr>
    1894. 

  1894. 

  1895. <tr>
    1896. 

  1896. <td width="30%" class="tabledata">N3-H3A</td>
    1897. 

  1897. <td width="20%" class="tabledata">0.8600</td>
    1898. 

  1898. <td width="30%" class="tabledata">C19-H19A</td>
    1899. 

  1899. <td width="20%" class="tabledata">0.9300</td>
    1900. 

  1900. </tr>
    1901. 

  1901. 

  1902. <tr>
    1903. 

  1903. <td width="30%" class="tabledata">O3-C28</td>
    1904. 

  1904. <td width="20%" class="tabledata">1.357 (3)</td>
    1905. 

  1905. <td width="30%" class="tabledata">C20-C21</td>
    1906. 

  1906. <td width="20%" class="tabledata">1.368 (4)</td>
    1907. 

  1907. </tr>
    1908. 

  1908. 

  1909. <tr>
    1910. 

  1910. <td width="30%" class="tabledata">O3-C30</td>
    1911. 

  1911. <td width="20%" class="tabledata">1.428 (3)</td>
    1912. 

  1912. <td width="30%" class="tabledata">C21-C22</td>
    1913. 

  1913. <td width="20%" class="tabledata">1.380 (4)</td>
    1914. 

  1914. </tr>
    1915. 

  1915. 

  1916. <tr>
    1917. 

  1917. <td width="30%" class="tabledata">C3-C4</td>
    1918. 

  1918. <td width="20%" class="tabledata">1.389 (5)</td>
    1919. 

  1919. <td width="30%" class="tabledata">C21-H21A</td>
    1920. 

  1920. <td width="20%" class="tabledata">0.9300</td>
    1921. 

  1921. </tr>
    1922. 

  1922. 

  1923. <tr>
    1924. 

  1924. <td width="30%" class="tabledata">C3-H3B</td>
    1925. 

  1925. <td width="20%" class="tabledata">0.9300</td>
    1926. 

  1926. <td width="30%" class="tabledata">C22-H22A</td>
    1927. 

  1927. <td width="20%" class="tabledata">0.9300</td>
    1928. 

  1928. </tr>
    1929. 

  1929. 

  1930. <tr>
    1931. 

  1931. <td width="30%" class="tabledata">O4-C29</td>
    1932. 

  1932. <td width="20%" class="tabledata">1.301 (3)</td>
    1933. 

  1933. <td width="30%" class="tabledata">C23-C24</td>
    1934. 

  1934. <td width="20%" class="tabledata">1.406 (4)</td>
    1935. 

  1935. </tr>
    1936. 

  1936. 

  1937. <tr>
    1938. 

  1938. <td width="30%" class="tabledata">N4-C23</td>
    1939. 

  1939. <td width="20%" class="tabledata">1.301 (3)</td>
    1940. 

  1940. <td width="30%" class="tabledata">C23-H23A</td>
    1941. 

  1941. <td width="20%" class="tabledata">0.9300</td>
    1942. 

  1942. </tr>
    1943. 

  1943. 

  1944. <tr>
    1945. 

  1945. <td width="30%" class="tabledata">N4-C20</td>
    1946. 

  1946. <td width="20%" class="tabledata">1.427 (3)</td>
    1947. 

  1947. <td width="30%" class="tabledata">C24-C25</td>
    1948. 

  1948. <td width="20%" class="tabledata">1.409 (4)</td>
    1949. 

  1949. </tr>
    1950. 

  1950. 

  1951. <tr>
    1952. 

  1952. <td width="30%" class="tabledata">N4-H4A</td>
    1953. 

  1953. <td width="20%" class="tabledata">0.8600</td>
    1954. 

  1954. <td width="30%" class="tabledata">C24-C29</td>
    1955. 

  1955. <td width="20%" class="tabledata">1.413 (4)</td>
    1956. 

  1956. </tr>
    1957. 

  1957. 

  1958. <tr>
    1959. 

  1959. <td width="30%" class="tabledata">C4-C5</td>
    1960. 

  1960. <td width="20%" class="tabledata">1.375 (4)</td>
    1961. 

  1961. <td width="30%" class="tabledata">C25-C26</td>
    1962. 

  1962. <td width="20%" class="tabledata">1.353 (4)</td>
    1963. 

  1963. </tr>
    1964. 

  1964. 

  1965. <tr>
    1966. 

  1966. <td width="30%" class="tabledata">C4-H4B</td>
    1967. 

  1967. <td width="20%" class="tabledata">0.9300</td>
    1968. 

  1968. <td width="30%" class="tabledata">C25-H25A</td>
    1969. 

  1969. <td width="20%" class="tabledata">0.9300</td>
    1970. 

  1970. </tr>
    1971. 

  1971. 

  1972. <tr>
    1973. 

  1973. <td width="30%" class="tabledata">C5-C6</td>
    1974. 

  1974. <td width="20%" class="tabledata">1.371 (4)</td>
    1975. 

  1975. <td width="30%" class="tabledata">C26-C27</td>
    1976. 

  1976. <td width="20%" class="tabledata">1.386 (4)</td>
    1977. 

  1977. </tr>
    1978. 

  1978. 

  1979. <tr>
    1980. 

  1980. <td width="30%" class="tabledata">C6-C7</td>
    1981. 

  1981. <td width="20%" class="tabledata">1.382 (4)</td>
    1982. 

  1982. <td width="30%" class="tabledata">C26-H26A</td>
    1983. 

  1983. <td width="20%" class="tabledata">0.9300</td>
    1984. 

  1984. </tr>
    1985. 

  1985. 

  1986. <tr>
    1987. 

  1987. <td width="30%" class="tabledata">C6-H6A</td>
    1988. 

  1988. <td width="20%" class="tabledata">0.9300</td>
    1989. 

  1989. <td width="30%" class="tabledata">C27-C28</td>
    1990. 

  1990. <td width="20%" class="tabledata">1.366 (4)</td>
    1991. 

  1991. </tr>
    1992. 

  1992. 

  1993. <tr>
    1994. 

  1994. <td width="30%" class="tabledata">C7-H7A</td>
    1995. 

  1995. <td width="20%" class="tabledata">0.9300</td>
    1996. 

  1996. <td width="30%" class="tabledata">C27-H27A</td>
    1997. 

  1997. <td width="20%" class="tabledata">0.9300</td>
    1998. 

  1998. </tr>
    1999. 

  1999. 

  2000. <tr>
    2001. 

  2001. <td width="30%" class="tabledata">C8-C9</td>
    2002. 

  2002. <td width="20%" class="tabledata">1.401 (4)</td>
    2003. 

  2003. <td width="30%" class="tabledata">C28-C29</td>
    2004. 

  2004. <td width="20%" class="tabledata">1.430 (4)</td>
    2005. 

  2005. </tr>
    2006. 

  2006. 

  2007. <tr>
    2008. 

  2008. <td width="30%" class="tabledata">C8-H8A</td>
    2009. 

  2009. <td width="20%" class="tabledata">0.9300</td>
    2010. 

  2010. <td width="30%" class="tabledata">C30-H30A</td>
    2011. 

  2011. <td width="20%" class="tabledata">0.9600</td>
    2012. 

  2012. </tr>
    2013. 

  2013. 

  2014. <tr>
    2015. 

  2015. <td width="30%" class="tabledata">C9-C10</td>
    2016. 

  2016. <td width="20%" class="tabledata">1.413 (4)</td>
    2017. 

  2017. <td width="30%" class="tabledata">C30-H30B</td>
    2018. 

  2018. <td width="20%" class="tabledata">0.9600</td>
    2019. 

  2019. </tr>
    2020. 

  2020. 

  2021. <tr>
    2022. 

  2022. <td width="30%" class="tabledata">C9-C14</td>
    2023. 

  2023. <td width="20%" class="tabledata">1.414 (4)</td>
    2024. 

  2024. <td width="30%" class="tabledata">C30-H30C</td>
    2025. 

  2025. <td width="20%" class="tabledata">0.9600</td>
    2026. 

  2026. </tr>
    2027. 

  2027. 

  2028. <tr>
    2029. 

  2029. <td width="25%" class="tabledata"/>
    2030. 

  2030. <td width="25%" class="tabledata"/>
    2031. 

  2031. <td width="25%" class="tabledata"/>
    2032. 

  2032. <td width="25%" class="tabledata"/>
    2033. 

  2033. </tr>
    2034. 

  2034. 

  2035. <tr>
    2036. 

  2036. <td width="30%" class="tabledata">N2-Zn1-O4</td>
    2037. 

  2037. <td width="20%" class="tabledata">117.69 (10)</td>
    2038. 

  2038. <td width="30%" class="tabledata">C13-C14-H14A</td>
    2039. 

  2039. <td width="20%" class="tabledata">119.5</td>
    2040. 

  2040. </tr>
    2041. 

  2041. 

  2042. <tr>
    2043. 

  2043. <td width="30%" class="tabledata">N2-Zn1-N1</td>
    2044. 

  2044. <td width="20%" class="tabledata">114.93 (12)</td>
    2045. 

  2045. <td width="30%" class="tabledata">C9-C14-H14A</td>
    2046. 

  2046. <td width="20%" class="tabledata">119.5</td>
    2047. 

  2047. </tr>
    2048. 

  2048. 

  2049. <tr>
    2050. 

  2050. <td width="30%" class="tabledata">O4-Zn1-N1</td>
    2051. 

  2051. <td width="20%" class="tabledata">113.62 (10)</td>
    2052. 

  2052. <td width="30%" class="tabledata">O1-C15-H15A</td>
    2053. 

  2053. <td width="20%" class="tabledata">109.5</td>
    2054. 

  2054. </tr>
    2055. 

  2055. 

  2056. <tr>
    2057. 

  2057. <td width="30%" class="tabledata">N2-Zn1-O2</td>
    2058. 

  2058. <td width="20%" class="tabledata">108.86 (10)</td>
    2059. 

  2059. <td width="30%" class="tabledata">O1-C15-H15B</td>
    2060. 

  2060. <td width="20%" class="tabledata">109.5</td>
    2061. 

  2061. </tr>
    2062. 

  2062. 

  2063. <tr>
    2064. 

  2064. <td width="30%" class="tabledata">O4-Zn1-O2</td>
    2065. 

  2065. <td width="20%" class="tabledata">105.37 (7)</td>
    2066. 

  2066. <td width="30%" class="tabledata">H15A-C15-H15B</td>
    2067. 

  2067. <td width="20%" class="tabledata">109.5</td>
    2068. 

  2068. </tr>
    2069. 

  2069. 

  2070. <tr>
    2071. 

  2071. <td width="30%" class="tabledata">N1-Zn1-O2</td>
    2072. 

  2072. <td width="20%" class="tabledata">92.68 (10)</td>
    2073. 

  2073. <td width="30%" class="tabledata">O1-C15-H15C</td>
    2074. 

  2074. <td width="20%" class="tabledata">109.5</td>
    2075. 

  2075. </tr>
    2076. 

  2076. 

  2077. <tr>
    2078. 

  2078. <td width="30%" class="tabledata">C11-O1-C15</td>
    2079. 

  2079. <td width="20%" class="tabledata">118.8 (3)</td>
    2080. 

  2080. <td width="30%" class="tabledata">H15A-C15-H15C</td>
    2081. 

  2081. <td width="20%" class="tabledata">109.5</td>
    2082. 

  2082. </tr>
    2083. 

  2083. 

  2084. <tr>
    2085. 

  2085. <td width="30%" class="tabledata">C31-N1-Zn1</td>
    2086. 

  2086. <td width="20%" class="tabledata">160.9 (3)</td>
    2087. 

  2087. <td width="30%" class="tabledata">H15B-C15-H15C</td>
    2088. 

  2088. <td width="20%" class="tabledata">109.5</td>
    2089. 

  2089. </tr>
    2090. 

  2090. 

  2091. <tr>
    2092. 

  2092. <td width="30%" class="tabledata">C2-C1-H1B</td>
    2093. 

  2093. <td width="20%" class="tabledata">109.5</td>
    2094. 

  2094. <td width="30%" class="tabledata">C17-C16-H16A</td>
    2095. 

  2095. <td width="20%" class="tabledata">109.5</td>
    2096. 

  2096. </tr>
    2097. 

  2097. 

  2098. <tr>
    2099. 

  2099. <td width="30%" class="tabledata">C2-C1-H1C</td>
    2100. 

  2100. <td width="20%" class="tabledata">109.5</td>
    2101. 

  2101. <td width="30%" class="tabledata">C17-C16-H16B</td>
    2102. 

  2102. <td width="20%" class="tabledata">109.5</td>
    2103. 

  2103. </tr>
    2104. 

  2104. 

  2105. <tr>
    2106. 

  2106. <td width="30%" class="tabledata">H1B-C1-H1C</td>
    2107. 

  2107. <td width="20%" class="tabledata">109.5</td>
    2108. 

  2108. <td width="30%" class="tabledata">H16A-C16-H16B</td>
    2109. 

  2109. <td width="20%" class="tabledata">109.5</td>
    2110. 

  2110. </tr>
    2111. 

  2111. 

  2112. <tr>
    2113. 

  2113. <td width="30%" class="tabledata">C2-C1-H1D</td>
    2114. 

  2114. <td width="20%" class="tabledata">109.5</td>
    2115. 

  2115. <td width="30%" class="tabledata">C17-C16-H16C</td>
    2116. 

  2116. <td width="20%" class="tabledata">109.5</td>
    2117. 

  2117. </tr>
    2118. 

  2118. 

  2119. <tr>
    2120. 

  2120. <td width="30%" class="tabledata">H1B-C1-H1D</td>
    2121. 

  2121. <td width="20%" class="tabledata">109.5</td>
    2122. 

  2122. <td width="30%" class="tabledata">H16A-C16-H16C</td>
    2123. 

  2123. <td width="20%" class="tabledata">109.5</td>
    2124. 

  2124. </tr>
    2125. 

  2125. 

  2126. <tr>
    2127. 

  2127. <td width="30%" class="tabledata">H1C-C1-H1D</td>
    2128. 

  2128. <td width="20%" class="tabledata">109.5</td>
    2129. 

  2129. <td width="30%" class="tabledata">H16B-C16-H16C</td>
    2130. 

  2130. <td width="20%" class="tabledata">109.5</td>
    2131. 

  2131. </tr>
    2132. 

  2132. 

  2133. <tr>
    2134. 

  2134. <td width="30%" class="tabledata">C10-O2-Zn1</td>
    2135. 

  2135. <td width="20%" class="tabledata">133.72 (19)</td>
    2136. 

  2136. <td width="30%" class="tabledata">C18-C17-C22</td>
    2137. 

  2137. <td width="20%" class="tabledata">117.7 (3)</td>
    2138. 

  2138. </tr>
    2139. 

  2139. 

  2140. <tr>
    2141. 

  2141. <td width="30%" class="tabledata">C32-N2-Zn1</td>
    2142. 

  2142. <td width="20%" class="tabledata">161.8 (3)</td>
    2143. 

  2143. <td width="30%" class="tabledata">C18-C17-C16</td>
    2144. 

  2144. <td width="20%" class="tabledata">121.7 (3)</td>
    2145. 

  2145. </tr>
    2146. 

  2146. 

  2147. <tr>
    2148. 

  2148. <td width="30%" class="tabledata">C7-C2-C3</td>
    2149. 

  2149. <td width="20%" class="tabledata">117.6 (3)</td>
    2150. 

  2150. <td width="30%" class="tabledata">C22-C17-C16</td>
    2151. 

  2151. <td width="20%" class="tabledata">120.6 (3)</td>
    2152. 

  2152. </tr>
    2153. 

  2153. 

  2154. <tr>
    2155. 

  2155. <td width="30%" class="tabledata">C7-C2-C1</td>
    2156. 

  2156. <td width="20%" class="tabledata">121.8 (4)</td>
    2157. 

  2157. <td width="30%" class="tabledata">C17-C18-C19</td>
    2158. 

  2158. <td width="20%" class="tabledata">121.0 (3)</td>
    2159. 

  2159. </tr>
    2160. 

  2160. 

  2161. <tr>
    2162. 

  2162. <td width="30%" class="tabledata">C3-C2-C1</td>
    2163. 

  2163. <td width="20%" class="tabledata">120.6 (4)</td>
    2164. 

  2164. <td width="30%" class="tabledata">C17-C18-H18A</td>
    2165. 

  2165. <td width="20%" class="tabledata">119.5</td>
    2166. 

  2166. </tr>
    2167. 

  2167. 

  2168. <tr>
    2169. 

  2169. <td width="30%" class="tabledata">C8-N3-C5</td>
    2170. 

  2170. <td width="20%" class="tabledata">126.5 (3)</td>
    2171. 

  2171. <td width="30%" class="tabledata">C19-C18-H18A</td>
    2172. 

  2172. <td width="20%" class="tabledata">119.5</td>
    2173. 

  2173. </tr>
    2174. 

  2174. 

  2175. <tr>
    2176. 

  2176. <td width="30%" class="tabledata">C8-N3-H3A</td>
    2177. 

  2177. <td width="20%" class="tabledata">116.8</td>
    2178. 

  2178. <td width="30%" class="tabledata">C20-C19-C18</td>
    2179. 

  2179. <td width="20%" class="tabledata">120.3 (3)</td>
    2180. 

  2180. </tr>
    2181. 

  2181. 

  2182. <tr>
    2183. 

  2183. <td width="30%" class="tabledata">C5-N3-H3A</td>
    2184. 

  2184. <td width="20%" class="tabledata">116.8</td>
    2185. 

  2185. <td width="30%" class="tabledata">C20-C19-H19A</td>
    2186. 

  2186. <td width="20%" class="tabledata">119.8</td>
    2187. 

  2187. </tr>
    2188. 

  2188. 

  2189. <tr>
    2190. 

  2190. <td width="30%" class="tabledata">C28-O3-C30</td>
    2191. 

  2191. <td width="20%" class="tabledata">118.5 (2)</td>
    2192. 

  2192. <td width="30%" class="tabledata">C18-C19-H19A</td>
    2193. 

  2193. <td width="20%" class="tabledata">119.8</td>
    2194. 

  2194. </tr>
    2195. 

  2195. 

  2196. <tr>
    2197. 

  2197. <td width="30%" class="tabledata">C2-C3-C4</td>
    2198. 

  2198. <td width="20%" class="tabledata">121.7 (3)</td>
    2199. 

  2199. <td width="30%" class="tabledata">C21-C20-C19</td>
    2200. 

  2200. <td width="20%" class="tabledata">119.5 (3)</td>
    2201. 

  2201. </tr>
    2202. 

  2202. 

  2203. <tr>
    2204. 

  2204. <td width="30%" class="tabledata">C2-C3-H3B</td>
    2205. 

  2205. <td width="20%" class="tabledata">119.2</td>
    2206. 

  2206. <td width="30%" class="tabledata">C21-C20-N4</td>
    2207. 

  2207. <td width="20%" class="tabledata">122.7 (3)</td>
    2208. 

  2208. </tr>
    2209. 

  2209. 

  2210. <tr>
    2211. 

  2211. <td width="30%" class="tabledata">C4-C3-H3B</td>
    2212. 

  2212. <td width="20%" class="tabledata">119.2</td>
    2213. 

  2213. <td width="30%" class="tabledata">C19-C20-N4</td>
    2214. 

  2214. <td width="20%" class="tabledata">117.8 (3)</td>
    2215. 

  2215. </tr>
    2216. 

  2216. 

  2217. <tr>
    2218. 

  2218. <td width="30%" class="tabledata">C29-O4-Zn1</td>
    2219. 

  2219. <td width="20%" class="tabledata">131.10 (17)</td>
    2220. 

  2220. <td width="30%" class="tabledata">C20-C21-C22</td>
    2221. 

  2221. <td width="20%" class="tabledata">119.3 (3)</td>
    2222. 

  2222. </tr>
    2223. 

  2223. 

  2224. <tr>
    2225. 

  2225. <td width="30%" class="tabledata">C23-N4-C20</td>
    2226. 

  2226. <td width="20%" class="tabledata">127.2 (2)</td>
    2227. 

  2227. <td width="30%" class="tabledata">C20-C21-H21A</td>
    2228. 

  2228. <td width="20%" class="tabledata">120.4</td>
    2229. 

  2229. </tr>
    2230. 

  2230. 

  2231. <tr>
    2232. 

  2232. <td width="30%" class="tabledata">C23-N4-H4A</td>
    2233. 

  2233. <td width="20%" class="tabledata">116.4</td>
    2234. 

  2234. <td width="30%" class="tabledata">C22-C21-H21A</td>
    2235. 

  2235. <td width="20%" class="tabledata">120.4</td>
    2236. 

  2236. </tr>
    2237. 

  2237. 

  2238. <tr>
    2239. 

  2239. <td width="30%" class="tabledata">C20-N4-H4A</td>
    2240. 

  2240. <td width="20%" class="tabledata">116.4</td>
    2241. 

  2241. <td width="30%" class="tabledata">C17-C22-C21</td>
    2242. 

  2242. <td width="20%" class="tabledata">122.2 (3)</td>
    2243. 

  2243. </tr>
    2244. 

  2244. 

  2245. <tr>
    2246. 

  2246. <td width="30%" class="tabledata">C5-C4-C3</td>
    2247. 

  2247. <td width="20%" class="tabledata">119.2 (3)</td>
    2248. 

  2248. <td width="30%" class="tabledata">C17-C22-H22A</td>
    2249. 

  2249. <td width="20%" class="tabledata">118.9</td>
    2250. 

  2250. </tr>
    2251. 

  2251. 

  2252. <tr>
    2253. 

  2253. <td width="30%" class="tabledata">C5-C4-H4B</td>
    2254. 

  2254. <td width="20%" class="tabledata">120.4</td>
    2255. 

  2255. <td width="30%" class="tabledata">C21-C22-H22A</td>
    2256. 

  2256. <td width="20%" class="tabledata">118.9</td>
    2257. 

  2257. </tr>
    2258. 

  2258. 

  2259. <tr>
    2260. 

  2260. <td width="30%" class="tabledata">C3-C4-H4B</td>
    2261. 

  2261. <td width="20%" class="tabledata">120.4</td>
    2262. 

  2262. <td width="30%" class="tabledata">N4-C23-C24</td>
    2263. 

  2263. <td width="20%" class="tabledata">124.6 (3)</td>
    2264. 

  2264. </tr>
    2265. 

  2265. 

  2266. <tr>
    2267. 

  2267. <td width="30%" class="tabledata">C6-C5-C4</td>
    2268. 

  2268. <td width="20%" class="tabledata">119.6 (3)</td>
    2269. 

  2269. <td width="30%" class="tabledata">N4-C23-H23A</td>
    2270. 

  2270. <td width="20%" class="tabledata">117.7</td>
    2271. 

  2271. </tr>
    2272. 

  2272. 

  2273. <tr>
    2274. 

  2274. <td width="30%" class="tabledata">C6-C5-N3</td>
    2275. 

  2275. <td width="20%" class="tabledata">122.0 (3)</td>
    2276. 

  2276. <td width="30%" class="tabledata">C24-C23-H23A</td>
    2277. 

  2277. <td width="20%" class="tabledata">117.7</td>
    2278. 

  2278. </tr>
    2279. 

  2279. 

  2280. <tr>
    2281. 

  2281. <td width="30%" class="tabledata">C4-C5-N3</td>
    2282. 

  2282. <td width="20%" class="tabledata">118.4 (3)</td>
    2283. 

  2283. <td width="30%" class="tabledata">C23-C24-C25</td>
    2284. 

  2284. <td width="20%" class="tabledata">119.1 (3)</td>
    2285. 

  2285. </tr>
    2286. 

  2286. 

  2287. <tr>
    2288. 

  2288. <td width="30%" class="tabledata">C5-C6-C7</td>
    2289. 

  2289. <td width="20%" class="tabledata">119.8 (3)</td>
    2290. 

  2290. <td width="30%" class="tabledata">C23-C24-C29</td>
    2291. 

  2291. <td width="20%" class="tabledata">120.6 (2)</td>
    2292. 

  2292. </tr>
    2293. 

  2293. 

  2294. <tr>
    2295. 

  2295. <td width="30%" class="tabledata">C5-C6-H6A</td>
    2296. 

  2296. <td width="20%" class="tabledata">120.1</td>
    2297. 

  2297. <td width="30%" class="tabledata">C25-C24-C29</td>
    2298. 

  2298. <td width="20%" class="tabledata">120.4 (2)</td>
    2299. 

  2299. </tr>
    2300. 

  2300. 

  2301. <tr>
    2302. 

  2302. <td width="30%" class="tabledata">C7-C6-H6A</td>
    2303. 

  2303. <td width="20%" class="tabledata">120.1</td>
    2304. 

  2304. <td width="30%" class="tabledata">C26-C25-C24</td>
    2305. 

  2305. <td width="20%" class="tabledata">120.1 (3)</td>
    2306. 

  2306. </tr>
    2307. 

  2307. 

  2308. <tr>
    2309. 

  2309. <td width="30%" class="tabledata">C2-C7-C6</td>
    2310. 

  2310. <td width="20%" class="tabledata">122.0 (3)</td>
    2311. 

  2311. <td width="30%" class="tabledata">C26-C25-H25A</td>
    2312. 

  2312. <td width="20%" class="tabledata">119.9</td>
    2313. 

  2313. </tr>
    2314. 

  2314. 

  2315. <tr>
    2316. 

  2316. <td width="30%" class="tabledata">C2-C7-H7A</td>
    2317. 

  2317. <td width="20%" class="tabledata">119.0</td>
    2318. 

  2318. <td width="30%" class="tabledata">C24-C25-H25A</td>
    2319. 

  2319. <td width="20%" class="tabledata">119.9</td>
    2320. 

  2320. </tr>
    2321. 

  2321. 

  2322. <tr>
    2323. 

  2323. <td width="30%" class="tabledata">C6-C7-H7A</td>
    2324. 

  2324. <td width="20%" class="tabledata">119.0</td>
    2325. 

  2325. <td width="30%" class="tabledata">C25-C26-C27</td>
    2326. 

  2326. <td width="20%" class="tabledata">120.5 (3)</td>
    2327. 

  2327. </tr>
    2328. 

  2328. 

  2329. <tr>
    2330. 

  2330. <td width="30%" class="tabledata">N3-C8-C9</td>
    2331. 

  2331. <td width="20%" class="tabledata">124.7 (3)</td>
    2332. 

  2332. <td width="30%" class="tabledata">C25-C26-H26A</td>
    2333. 

  2333. <td width="20%" class="tabledata">119.7</td>
    2334. 

  2334. </tr>
    2335. 

  2335. 

  2336. <tr>
    2337. 

  2337. <td width="30%" class="tabledata">N3-C8-H8A</td>
    2338. 

  2338. <td width="20%" class="tabledata">117.7</td>
    2339. 

  2339. <td width="30%" class="tabledata">C27-C26-H26A</td>
    2340. 

  2340. <td width="20%" class="tabledata">119.7</td>
    2341. 

  2341. </tr>
    2342. 

  2342. 

  2343. <tr>
    2344. 

  2344. <td width="30%" class="tabledata">C9-C8-H8A</td>
    2345. 

  2345. <td width="20%" class="tabledata">117.7</td>
    2346. 

  2346. <td width="30%" class="tabledata">C28-C27-C26</td>
    2347. 

  2347. <td width="20%" class="tabledata">121.5 (3)</td>
    2348. 

  2348. </tr>
    2349. 

  2349. 

  2350. <tr>
    2351. 

  2351. <td width="30%" class="tabledata">C8-C9-C10</td>
    2352. 

  2352. <td width="20%" class="tabledata">120.7 (3)</td>
    2353. 

  2353. <td width="30%" class="tabledata">C28-C27-H27A</td>
    2354. 

  2354. <td width="20%" class="tabledata">119.2</td>
    2355. 

  2355. </tr>
    2356. 

  2356. 

  2357. <tr>
    2358. 

  2358. <td width="30%" class="tabledata">C8-C9-C14</td>
    2359. 

  2359. <td width="20%" class="tabledata">119.4 (3)</td>
    2360. 

  2360. <td width="30%" class="tabledata">C26-C27-H27A</td>
    2361. 

  2361. <td width="20%" class="tabledata">119.2</td>
    2362. 

  2362. </tr>
    2363. 

  2363. 

  2364. <tr>
    2365. 

  2365. <td width="30%" class="tabledata">C10-C9-C14</td>
    2366. 

  2366. <td width="20%" class="tabledata">119.9 (3)</td>
    2367. 

  2367. <td width="30%" class="tabledata">O3-C28-C27</td>
    2368. 

  2368. <td width="20%" class="tabledata">127.2 (3)</td>
    2369. 

  2369. </tr>
    2370. 

  2370. 

  2371. <tr>
    2372. 

  2372. <td width="30%" class="tabledata">O2-C10-C9</td>
    2373. 

  2373. <td width="20%" class="tabledata">121.0 (3)</td>
    2374. 

  2374. <td width="30%" class="tabledata">O3-C28-C29</td>
    2375. 

  2375. <td width="20%" class="tabledata">113.0 (3)</td>
    2376. 

  2376. </tr>
    2377. 

  2377. 

  2378. <tr>
    2379. 

  2379. <td width="30%" class="tabledata">O2-C10-C11</td>
    2380. 

  2380. <td width="20%" class="tabledata">121.8 (3)</td>
    2381. 

  2381. <td width="30%" class="tabledata">C27-C28-C29</td>
    2382. 

  2382. <td width="20%" class="tabledata">119.8 (3)</td>
    2383. 

  2383. </tr>
    2384. 

  2384. 

  2385. <tr>
    2386. 

  2386. <td width="30%" class="tabledata">C9-C10-C11</td>
    2387. 

  2387. <td width="20%" class="tabledata">117.2 (3)</td>
    2388. 

  2388. <td width="30%" class="tabledata">O4-C29-C24</td>
    2389. 

  2389. <td width="20%" class="tabledata">121.1 (2)</td>
    2390. 

  2390. </tr>
    2391. 

  2391. 

  2392. <tr>
    2393. 

  2393. <td width="30%" class="tabledata">C12-C11-O1</td>
    2394. 

  2394. <td width="20%" class="tabledata">124.9 (3)</td>
    2395. 

  2395. <td width="30%" class="tabledata">O4-C29-C28</td>
    2396. 

  2396. <td width="20%" class="tabledata">121.3 (3)</td>
    2397. 

  2397. </tr>
    2398. 

  2398. 

  2399. <tr>
    2400. 

  2400. <td width="30%" class="tabledata">C12-C11-C10</td>
    2401. 

  2401. <td width="20%" class="tabledata">121.3 (3)</td>
    2402. 

  2402. <td width="30%" class="tabledata">C24-C29-C28</td>
    2403. 

  2403. <td width="20%" class="tabledata">117.6 (3)</td>
    2404. 

  2404. </tr>
    2405. 

  2405. 

  2406. <tr>
    2407. 

  2407. <td width="30%" class="tabledata">O1-C11-C10</td>
    2408. 

  2408. <td width="20%" class="tabledata">113.8 (3)</td>
    2409. 

  2409. <td width="30%" class="tabledata">O3-C30-H30A</td>
    2410. 

  2410. <td width="20%" class="tabledata">109.5</td>
    2411. 

  2411. </tr>
    2412. 

  2412. 

  2413. <tr>
    2414. 

  2414. <td width="30%" class="tabledata">C11-C12-C13</td>
    2415. 

  2415. <td width="20%" class="tabledata">120.6 (3)</td>
    2416. 

  2416. <td width="30%" class="tabledata">O3-C30-H30B</td>
    2417. 

  2417. <td width="20%" class="tabledata">109.5</td>
    2418. 

  2418. </tr>
    2419. 

  2419. 

  2420. <tr>
    2421. 

  2421. <td width="30%" class="tabledata">C11-C12-H12A</td>
    2422. 

  2422. <td width="20%" class="tabledata">119.7</td>
    2423. 

  2423. <td width="30%" class="tabledata">H30A-C30-H30B</td>
    2424. 

  2424. <td width="20%" class="tabledata">109.5</td>
    2425. 

  2425. </tr>
    2426. 

  2426. 

  2427. <tr>
    2428. 

  2428. <td width="30%" class="tabledata">C13-C12-H12A</td>
    2429. 

  2429. <td width="20%" class="tabledata">119.7</td>
    2430. 

  2430. <td width="30%" class="tabledata">O3-C30-H30C</td>
    2431. 

  2431. <td width="20%" class="tabledata">109.5</td>
    2432. 

  2432. </tr>
    2433. 

  2433. 

  2434. <tr>
    2435. 

  2435. <td width="30%" class="tabledata">C14-C13-C12</td>
    2436. 

  2436. <td width="20%" class="tabledata">120.1 (3)</td>
    2437. 

  2437. <td width="30%" class="tabledata">H30A-C30-H30C</td>
    2438. 

  2438. <td width="20%" class="tabledata">109.5</td>
    2439. 

  2439. </tr>
    2440. 

  2440. 

  2441. <tr>
    2442. 

  2442. <td width="30%" class="tabledata">C14-C13-H13A</td>
    2443. 

  2443. <td width="20%" class="tabledata">119.9</td>
    2444. 

  2444. <td width="30%" class="tabledata">H30B-C30-H30C</td>
    2445. 

  2445. <td width="20%" class="tabledata">109.5</td>
    2446. 

  2446. </tr>
    2447. 

  2447. 

  2448. <tr>
    2449. 

  2449. <td width="30%" class="tabledata">C12-C13-H13A</td>
    2450. 

  2450. <td width="20%" class="tabledata">119.9</td>
    2451. 

  2451. <td width="30%" class="tabledata">N1-C31-S1</td>
    2452. 

  2452. <td width="20%" class="tabledata">178.8 (3)</td>
    2453. 

  2453. </tr>
    2454. 

  2454. 

  2455. <tr>
    2456. 

  2456. <td width="30%" class="tabledata">C13-C14-C9</td>
    2457. 

  2457. <td width="20%" class="tabledata">121.0 (3)</td>
    2458. 

  2458. <td width="30%" class="tabledata">N2-C32-S2</td>
    2459. 

  2459. <td width="20%" class="tabledata">178.7 (3)</td>
    2460. 

  2460. </tr>
    2461. 

  2461. 

  2462. <tr>
    2463. 

  2463. <td width="25%" class="tabledata"/>
    2464. 

  2464. <td width="25%" class="tabledata"/>
    2465. 

  2465. <td width="25%" class="tabledata"/>
    2466. 

  2466. <td width="25%" class="tabledata"/>
    2467. 

  2467. </tr>
    2468. 

  2468. 

  2469. <tr>
    2470. 

  2470. <td width="30%" class="tabledata">N2-Zn1-N1-C31</td>
    2471. 

  2471. <td width="20%" class="tabledata">147.9 (8)</td>
    2472. 

  2472. <td width="30%" class="tabledata">O1-C11-C12-C13</td>
    2473. 

  2473. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>177.1 (3)</td>
    2474. 

  2474. </tr>
    2475. 

  2475. 

  2476. <tr>
    2477. 

  2477. <td width="30%" class="tabledata">O4-Zn1-N1-C31</td>
    2478. 

  2478. <td width="20%" class="tabledata">8.2 (9)</td>
    2479. 

  2479. <td width="30%" class="tabledata">C10-C11-C12-C13</td>
    2480. 

  2480. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>0.1 (5)</td>
    2481. 

  2481. </tr>
    2482. 

  2482. 

  2483. <tr>
    2484. 

  2484. <td width="30%" class="tabledata">O2-Zn1-N1-C31</td>
    2485. 

  2485. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>99.8 (8)</td>
    2486. 

  2486. <td width="30%" class="tabledata">C11-C12-C13-C14</td>
    2487. 

  2487. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>1.1 (5)</td>
    2488. 

  2488. </tr>
    2489. 

  2489. 

  2490. <tr>
    2491. 

  2491. <td width="30%" class="tabledata">N2-Zn1-O2-C10</td>
    2492. 

  2492. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>55.9 (3)</td>
    2493. 

  2493. <td width="30%" class="tabledata">C12-C13-C14-C9</td>
    2494. 

  2494. <td width="20%" class="tabledata">0.7 (5)</td>
    2495. 

  2495. </tr>
    2496. 

  2496. 

  2497. <tr>
    2498. 

  2498. <td width="30%" class="tabledata">O4-Zn1-O2-C10</td>
    2499. 

  2499. <td width="20%" class="tabledata">71.2 (3)</td>
    2500. 

  2500. <td width="30%" class="tabledata">C8-C9-C14-C13</td>
    2501. 

  2501. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>178.8 (3)</td>
    2502. 

  2502. </tr>
    2503. 

  2503. 

  2504. <tr>
    2505. 

  2505. <td width="30%" class="tabledata">N1-Zn1-O2-C10</td>
    2506. 

  2506. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>173.4 (3)</td>
    2507. 

  2507. <td width="30%" class="tabledata">C10-C9-C14-C13</td>
    2508. 

  2508. <td width="20%" class="tabledata">1.0 (5)</td>
    2509. 

  2509. </tr>
    2510. 

  2510. 

  2511. <tr>
    2512. 

  2512. <td width="30%" class="tabledata">O4-Zn1-N2-C32</td>
    2513. 

  2513. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>94.6 (10)</td>
    2514. 

  2514. <td width="30%" class="tabledata">C22-C17-C18-C19</td>
    2515. 

  2515. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>0.7 (5)</td>
    2516. 

  2516. </tr>
    2517. 

  2517. 

  2518. <tr>
    2519. 

  2519. <td width="30%" class="tabledata">N1-Zn1-N2-C32</td>
    2520. 

  2520. <td width="20%" class="tabledata">127.4 (10)</td>
    2521. 

  2521. <td width="30%" class="tabledata">C16-C17-C18-C19</td>
    2522. 

  2522. <td width="20%" class="tabledata">178.5 (3)</td>
    2523. 

  2523. </tr>
    2524. 

  2524. 

  2525. <tr>
    2526. 

  2526. <td width="30%" class="tabledata">O2-Zn1-N2-C32</td>
    2527. 

  2527. <td width="20%" class="tabledata">25.1 (10)</td>
    2528. 

  2528. <td width="30%" class="tabledata">C17-C18-C19-C20</td>
    2529. 

  2529. <td width="20%" class="tabledata">0.3 (5)</td>
    2530. 

  2530. </tr>
    2531. 

  2531. 

  2532. <tr>
    2533. 

  2533. <td width="30%" class="tabledata">C7-C2-C3-C4</td>
    2534. 

  2534. <td width="20%" class="tabledata">0.6 (5)</td>
    2535. 

  2535. <td width="30%" class="tabledata">C18-C19-C20-C21</td>
    2536. 

  2536. <td width="20%" class="tabledata">0.1 (5)</td>
    2537. 

  2537. </tr>
    2538. 

  2538. 

  2539. <tr>
    2540. 

  2540. <td width="30%" class="tabledata">C1-C2-C3-C4</td>
    2541. 

  2541. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>178.0 (3)</td>
    2542. 

  2542. <td width="30%" class="tabledata">C18-C19-C20-N4</td>
    2543. 

  2543. <td width="20%" class="tabledata">179.7 (3)</td>
    2544. 

  2544. </tr>
    2545. 

  2545. 

  2546. <tr>
    2547. 

  2547. <td width="30%" class="tabledata">N2-Zn1-O4-C29</td>
    2548. 

  2548. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>72.2 (3)</td>
    2549. 

  2549. <td width="30%" class="tabledata">C23-N4-C20-C21</td>
    2550. 

  2550. <td width="20%" class="tabledata">13.6 (5)</td>
    2551. 

  2551. </tr>
    2552. 

  2552. 

  2553. <tr>
    2554. 

  2554. <td width="30%" class="tabledata">N1-Zn1-O4-C29</td>
    2555. 

  2555. <td width="20%" class="tabledata">66.3 (3)</td>
    2556. 

  2556. <td width="30%" class="tabledata">C23-N4-C20-C19</td>
    2557. 

  2557. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>166.0 (3)</td>
    2558. 

  2558. </tr>
    2559. 

  2559. 

  2560. <tr>
    2561. 

  2561. <td width="30%" class="tabledata">O2-Zn1-O4-C29</td>
    2562. 

  2562. <td width="20%" class="tabledata">166.2 (2)</td>
    2563. 

  2563. <td width="30%" class="tabledata">C19-C20-C21-C22</td>
    2564. 

  2564. <td width="20%" class="tabledata">0.0 (5)</td>
    2565. 

  2565. </tr>
    2566. 

  2566. 

  2567. <tr>
    2568. 

  2568. <td width="30%" class="tabledata">C2-C3-C4-C5</td>
    2569. 

  2569. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>1.9 (6)</td>
    2570. 

  2570. <td width="30%" class="tabledata">N4-C20-C21-C22</td>
    2571. 

  2571. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>179.6 (3)</td>
    2572. 

  2572. </tr>
    2573. 

  2573. 

  2574. <tr>
    2575. 

  2575. <td width="30%" class="tabledata">C3-C4-C5-C6</td>
    2576. 

  2576. <td width="20%" class="tabledata">2.5 (5)</td>
    2577. 

  2577. <td width="30%" class="tabledata">C18-C17-C22-C21</td>
    2578. 

  2578. <td width="20%" class="tabledata">0.7 (5)</td>
    2579. 

  2579. </tr>
    2580. 

  2580. 

  2581. <tr>
    2582. 

  2582. <td width="30%" class="tabledata">C3-C4-C5-N3</td>
    2583. 

  2583. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>178.7 (3)</td>
    2584. 

  2584. <td width="30%" class="tabledata">C16-C17-C22-C21</td>
    2585. 

  2585. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>178.5 (3)</td>
    2586. 

  2586. </tr>
    2587. 

  2587. 

  2588. <tr>
    2589. 

  2589. <td width="30%" class="tabledata">C8-N3-C5-C6</td>
    2590. 

  2590. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>27.7 (5)</td>
    2591. 

  2591. <td width="30%" class="tabledata">C20-C21-C22-C17</td>
    2592. 

  2592. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>0.4 (5)</td>
    2593. 

  2593. </tr>
    2594. 

  2594. 

  2595. <tr>
    2596. 

  2596. <td width="30%" class="tabledata">C8-N3-C5-C4</td>
    2597. 

  2597. <td width="20%" class="tabledata">153.5 (3)</td>
    2598. 

  2598. <td width="30%" class="tabledata">C20-N4-C23-C24</td>
    2599. 

  2599. <td width="20%" class="tabledata">179.5 (3)</td>
    2600. 

  2600. </tr>
    2601. 

  2601. 

  2602. <tr>
    2603. 

  2603. <td width="30%" class="tabledata">C4-C5-C6-C7</td>
    2604. 

  2604. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>1.7 (5)</td>
    2605. 

  2605. <td width="30%" class="tabledata">N4-C23-C24-C25</td>
    2606. 

  2606. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>178.6 (3)</td>
    2607. 

  2607. </tr>
    2608. 

  2608. 

  2609. <tr>
    2610. 

  2610. <td width="30%" class="tabledata">N3-C5-C6-C7</td>
    2611. 

  2611. <td width="20%" class="tabledata">179.6 (3)</td>
    2612. 

  2612. <td width="30%" class="tabledata">N4-C23-C24-C29</td>
    2613. 

  2613. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>0.7 (4)</td>
    2614. 

  2614. </tr>
    2615. 

  2615. 

  2616. <tr>
    2617. 

  2617. <td width="30%" class="tabledata">C3-C2-C7-C6</td>
    2618. 

  2618. <td width="20%" class="tabledata">0.2 (5)</td>
    2619. 

  2619. <td width="30%" class="tabledata">C23-C24-C25-C26</td>
    2620. 

  2620. <td width="20%" class="tabledata">179.1 (3)</td>
    2621. 

  2621. </tr>
    2622. 

  2622. 

  2623. <tr>
    2624. 

  2624. <td width="30%" class="tabledata">C1-C2-C7-C6</td>
    2625. 

  2625. <td width="20%" class="tabledata">178.8 (3)</td>
    2626. 

  2626. <td width="30%" class="tabledata">C29-C24-C25-C26</td>
    2627. 

  2627. <td width="20%" class="tabledata">1.1 (5)</td>
    2628. 

  2628. </tr>
    2629. 

  2629. 

  2630. <tr>
    2631. 

  2631. <td width="30%" class="tabledata">C5-C6-C7-C2</td>
    2632. 

  2632. <td width="20%" class="tabledata">0.3 (5)</td>
    2633. 

  2633. <td width="30%" class="tabledata">C24-C25-C26-C27</td>
    2634. 

  2634. <td width="20%" class="tabledata">0.0 (5)</td>
    2635. 

  2635. </tr>
    2636. 

  2636. 

  2637. <tr>
    2638. 

  2638. <td width="30%" class="tabledata">C5-N3-C8-C9</td>
    2639. 

  2639. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>179.0 (3)</td>
    2640. 

  2640. <td width="30%" class="tabledata">C25-C26-C27-C28</td>
    2641. 

  2641. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>1.1 (5)</td>
    2642. 

  2642. </tr>
    2643. 

  2643. 

  2644. <tr>
    2645. 

  2645. <td width="30%" class="tabledata">N3-C8-C9-C10</td>
    2646. 

  2646. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>1.4 (5)</td>
    2647. 

  2647. <td width="30%" class="tabledata">C30-O3-C28-C27</td>
    2648. 

  2648. <td width="20%" class="tabledata">7.6 (5)</td>
    2649. 

  2649. </tr>
    2650. 

  2650. 

  2651. <tr>
    2652. 

  2652. <td width="30%" class="tabledata">N3-C8-C9-C14</td>
    2653. 

  2653. <td width="20%" class="tabledata">178.4 (3)</td>
    2654. 

  2654. <td width="30%" class="tabledata">C30-O3-C28-C29</td>
    2655. 

  2655. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>173.2 (3)</td>
    2656. 

  2656. </tr>
    2657. 

  2657. 

  2658. <tr>
    2659. 

  2659. <td width="30%" class="tabledata">Zn1-O2-C10-C9</td>
    2660. 

  2660. <td width="20%" class="tabledata">168.24 (19)</td>
    2661. 

  2661. <td width="30%" class="tabledata">C26-C27-C28-O3</td>
    2662. 

  2662. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>179.6 (3)</td>
    2663. 

  2663. </tr>
    2664. 

  2664. 

  2665. <tr>
    2666. 

  2666. <td width="30%" class="tabledata">Zn1-O2-C10-C11</td>
    2667. 

  2667. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>12.0 (4)</td>
    2668. 

  2668. <td width="30%" class="tabledata">C26-C27-C28-C29</td>
    2669. 

  2669. <td width="20%" class="tabledata">1.1 (5)</td>
    2670. 

  2670. </tr>
    2671. 

  2671. 

  2672. <tr>
    2673. 

  2673. <td width="30%" class="tabledata">C8-C9-C10-O2</td>
    2674. 

  2674. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>2.6 (4)</td>
    2675. 

  2675. <td width="30%" class="tabledata">Zn1-O4-C29-C24</td>
    2676. 

  2676. <td width="20%" class="tabledata">179.42 (18)</td>
    2677. 

  2677. </tr>
    2678. 

  2678. 

  2679. <tr>
    2680. 

  2680. <td width="30%" class="tabledata">C14-C9-C10-O2</td>
    2681. 

  2681. <td width="20%" class="tabledata">177.6 (3)</td>
    2682. 

  2682. <td width="30%" class="tabledata">Zn1-O4-C29-C28</td>
    2683. 

  2683. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>1.2 (4)</td>
    2684. 

  2684. </tr>
    2685. 

  2685. 

  2686. <tr>
    2687. 

  2687. <td width="30%" class="tabledata">C8-C9-C10-C11</td>
    2688. 

  2688. <td width="20%" class="tabledata">177.7 (3)</td>
    2689. 

  2689. <td width="30%" class="tabledata">C23-C24-C29-O4</td>
    2690. 

  2690. <td width="20%" class="tabledata">0.4 (4)</td>
    2691. 

  2691. </tr>
    2692. 

  2692. 

  2693. <tr>
    2694. 

  2694. <td width="30%" class="tabledata">C14-C9-C10-C11</td>
    2695. 

  2695. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>2.1 (4)</td>
    2696. 

  2696. <td width="30%" class="tabledata">C25-C24-C29-O4</td>
    2697. 

  2697. <td width="20%" class="tabledata">178.3 (3)</td>
    2698. 

  2698. </tr>
    2699. 

  2699. 

  2700. <tr>
    2701. 

  2701. <td width="30%" class="tabledata">C15-O1-C11-C12</td>
    2702. 

  2702. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>19.6 (5)</td>
    2703. 

  2703. <td width="30%" class="tabledata">C23-C24-C29-C28</td>
    2704. 

  2704. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>179.0 (3)</td>
    2705. 

  2705. </tr>
    2706. 

  2706. 

  2707. <tr>
    2708. 

  2708. <td width="30%" class="tabledata">C15-O1-C11-C10</td>
    2709. 

  2709. <td width="20%" class="tabledata">163.2 (3)</td>
    2710. 

  2710. <td width="30%" class="tabledata">C25-C24-C29-C28</td>
    2711. 

  2711. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>1.1 (4)</td>
    2712. 

  2712. </tr>
    2713. 

  2713. 

  2714. <tr>
    2715. 

  2715. <td width="30%" class="tabledata">O2-C10-C11-C12</td>
    2716. 

  2716. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>178.0 (3)</td>
    2717. 

  2717. <td width="30%" class="tabledata">O3-C28-C29-O4</td>
    2718. 

  2718. <td width="20%" class="tabledata">1.2 (4)</td>
    2719. 

  2719. </tr>
    2720. 

  2720. 

  2721. <tr>
    2722. 

  2722. <td width="30%" class="tabledata">C9-C10-C11-C12</td>
    2723. 

  2723. <td width="20%" class="tabledata">1.7 (4)</td>
    2724. 

  2724. <td width="30%" class="tabledata">C27-C28-C29-O4</td>
    2725. 

  2725. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>179.4 (3)</td>
    2726. 

  2726. </tr>
    2727. 

  2727. 

  2728. <tr>
    2729. 

  2729. <td width="30%" class="tabledata">O2-C10-C11-O1</td>
    2730. 

  2730. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>0.7 (4)</td>
    2731. 

  2731. <td width="30%" class="tabledata">O3-C28-C29-C24</td>
    2732. 

  2732. <td width="20%" class="tabledata"><span style="font-family:Times">?</span>179.4 (2)</td>
    2733. 

  2733. </tr>
    2734. 

  2734. 

  2735. <tr>
    2736. 

  2736. <td width="30%" class="tabledata">C9-C10-C11-O1</td>
    2737. 

  2737. <td width="20%" class="tabledata">179.0 (2)</td>
    2738. 

  2738. <td width="30%" class="tabledata">C27-C28-C29-C24</td>
    2739. 

  2739. <td width="20%" class="tabledata">0.0 (4)</td>
    2740. 

  2740. </tr>
    2741. 

  2741. </table>
    2742. 

  2742. </div>
    2743. 

  2743. 

  2744. <!-- endtablewrapgeomlongdiv -->
    2745. 

  2745. <div class="tablewraphbondslong"><a id="hydrogen-bondgeometry1" name="hydrogen-bondgeometry1"/> <span class="heading3">Hydrogen-bond geometry (Å, °)</span>
    2746. 

  2746. <!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    2747. 

  2747. <table style="table-layout:fixed" width="100%" summary="" class="tabledata">
    2748. 

  2748. <colgroup span="5">
    2749. 

  2749. <col width="40%"/>
    2750. 

  2750. <col width="15%"/>
    2751. 

  2751. <col width="15%"/>
    2752. 

  2752. <col width="15%"/>
    2753. 

  2753. <col width="15%"/></colgroup>
    2754. 

  2754. 

  2755. <tr>
    2756. 

  2756. <td width="40%" class="tabledata">
    2757. 

  2757. <i>D</i>-H···<i>A</i></td>
    2758. 

  2758. <td width="15%" class="tabledata"><i>D</i>-H</td>
    2759. 

  2759. <td width="15%" class="tabledata">H···<i>A</i></td>
    2760. 

  2760. <td width="15%" class="tabledata">
    2761. 

  2761. <i>D</i>···<i>A</i></td>
    2762. 

  2762. <td width="15%" class="tabledata">
    2763. 

  2763. <i>D</i>-H···<i>A</i></td>
    2764. 

  2764. </tr>
    2765. 

  2765. 

  2766. <tr>
    2767. 

  2767. <td width="40%" class="tabledata">N3-H3A···O2</td>
    2768. 

  2768. <td width="15%" class="tabledata">0.86</td>
    2769. 

  2769. <td width="15%" class="tabledata">1.91</td>
    2770. 

  2770. <td width="15%" class="tabledata">2.594 (3)</td>
    2771. 

  2771. <td width="15%" class="tabledata">135</td>
    2772. 

  2772. </tr>
    2773. 

  2773. 

  2774. <tr>
    2775. 

  2775. <td width="40%" class="tabledata">N4-H4A···O4</td>
    2776. 

  2776. <td width="15%" class="tabledata">0.86</td>
    2777. 

  2777. <td width="15%" class="tabledata">1.91</td>
    2778. 

  2778. <td width="15%" class="tabledata">2.589 (3)</td>
    2779. 

  2779. <td width="15%" class="tabledata">135</td>
    2780. 

  2780. </tr>
    2781. 

  2781. </table>
    2782. 

  2782. </div>
    2783. 

  2783. 

  2784. <!-- endtablewraphbondslongdiv --><!-- endcoord --><!-- endadp -->
    2785. 

  2785. <!-- startgeom --><!-- endgeom -->
    2786. 

  2786. <div class="tablewraphbondsshort"><a id="hydrogen-bondgeometry1" name="hydrogen-bondgeometry1"/> <span class="heading3"><span class="tablenum"><b>Table 1</b></span><br/>
    2787. 

  2787. Hydrogen-bond geometry (Å, °)</span>
    2788. 

  2788. <!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    2789. 

  2789. <table style="table-layout:fixed" width="100%" summary="" class="tabledata">
    2790. 

  2790. <colgroup span="5">
    2791. 

  2791. <col width="40%"/>
    2792. 

  2792. <col width="15%"/>
    2793. 

  2793. <col width="15%"/>
    2794. 

  2794. <col width="15%"/>
    2795. 

  2795. <col width="15%"/></colgroup>
    2796. 

  2796. 

  2797. <tr>
    2798. 

  2798. <td width="40%" class="tabledata">
    2799. 

  2799. <i>D</i>-H···<i>A</i></td>
    2800. 

  2800. <td width="15%" class="tabledata"><i>D</i>-H</td>
    2801. 

  2801. <td width="15%" class="tabledata">H···<i>A</i></td>
    2802. 

  2802. <td width="15%" class="tabledata">
    2803. 

  2803. <i>D</i>···<i>A</i></td>
    2804. 

  2804. <td width="15%" class="tabledata">
    2805. 

  2805. <i>D</i>-H···<i>A</i></td>
    2806. 

  2806. </tr>
    2807. 

  2807. 

  2808. <tr>
    2809. 

  2809. <td width="40%" class="tabledata">N3-H3A···O2</td>
    2810. 

  2810. <td width="15%" class="tabledata">0.86</td>
    2811. 

  2811. <td width="15%" class="tabledata">1.91</td>
    2812. 

  2812. <td width="15%" class="tabledata">2.594 (3)</td>
    2813. 

  2813. <td width="15%" class="tabledata">135</td>
    2814. 

  2814. </tr>
    2815. 

  2815. 

  2816. <tr>
    2817. 

  2817. <td width="40%" class="tabledata">N4-H4A···O4</td>
    2818. 

  2818. <td width="15%" class="tabledata">0.86</td>
    2819. 

  2819. <td width="15%" class="tabledata">1.91</td>
    2820. 

  2820. <td width="15%" class="tabledata">2.589 (3)</td>
    2821. 

  2821. <td width="15%" class="tabledata">135</td>
    2822. 

  2822. </tr>
    2823. 

  2823. </table>
    2824. 

  2824. </div>
    2825. 

  2825. 

  2826. <!-- endtablewraphbondsshortdiv -->
    2827. 

  2827. </div>
    2828. 

  2828. 

  2829. <!-- enddatablockdiv --><a id="extratables" name="extratables"/>
    2830. 

  2830. 

  2831. 

  2832. <div class="references"><a id="references" name="references"/><a class="buttons" title="link to reference list" href="./at2651bdy.html#References">references</a></div>
    2833. 

  2833. 

  2834. <!-- endreferencesdiv -->
    2835. 

  2835. <div class="publreferences"><a id="publreferences" name="publreferences"/> 
    2836. 

  2836. 

  2837. <div class="heading2">References <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
    2838. 

  2838. </div>
    2839. 

  2839. 

  2840. <!-- endheading2div -->
    2841. 

  2841. <p>Bruker (2004). <i>APEX2</i> and <i>SAINT</i>. Bruker AXS Inc.,
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  2869. Zhang, Q.-W. &amp; Wang, G.-X. (2007). <i>Acta Cryst.</i>
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  2870. E<b>63</b>, m652-m653.<br/>
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  2872. Zhao, G.-L., Shi, X. &amp; Ng, S. W. (2007). <i>Acta Cryst.</i>
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  2873. E<b>63</b>, m267-m268.<br/>
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  2874. <br/>
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  2875. Zhou, Y.-H. &amp; Zhao, G.-L. (2007). <i>Acta Cryst.</i>
    2876. 

  2876. E<b>63</b>, m43-m44.<br/>
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  2878. Zhou, M. D., Zhao, J., Li, J., Yue, S., Bao, C. N., Mink, J., Zang,
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  2880. <b>13</b>, 158-166.<br/>
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  2883. </div>
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  2931. </body>
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  2932. </html>

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