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  26. <a name="top"></a><h1 class="suptitle">supplementary materials</h1><br /><div class="buttonlinks"><a href="./index.html" target="_parent"><img src="../../../../../graphics/htmlborder.gif" alt="HTML version" align="top" border="0" /></a><a href="./bi2359.pdf" ><img src="../../../../../graphics/pdfborder.gif" alt="pdf version" align="top" border="0" /></a><a href="http://scripts.iucr.org/cgi-bin/sendcif?bi2359sup1" ><img src="../../../../../graphics/cifborder.gif" alt="cif file" align="top" border="0" /></a><a href="http://scripts.iucr.org/cgi-bin/sendcif?bi2359sup1&amp;Qmime=cif" ><img src="../../../../../graphics/3dviewborder.gif" alt="3d view" align="top" border="0" /></a><a href="./bi2359Isup2.hkl" ><img src="../../../../../graphics/structurefactorsborder.gif" alt="structure factors" align="top" border="0" /></a><a href="./bi2359sup0.html" ><img src="../../../../../graphics/supplementarymaterialsborder.gif" alt="supplementary materials" align="top" border="0" /></a><a href="./bi2359checkcif.html" ><img src="../../../../../graphics/checkcifborder.gif" alt="CIF check report" align="top" border="0" /></a><a href="http://scripts.iucr.org/cgi-bin/similar?wordList=dichloro%20or%20(hexaazatetracyclo%20and%20triaconta)%20or%20nonaene%20or%20diol%20or%20nitrato%20or%20europium&amp;from=bi2359" ><img src="../../../../../graphics/similarpapersborder.gif" alt="similar papers" align="top" border="0" /></a>&nbsp;<a href="../../../../../../services/openaccess.html"><img src="../../../../../../logos/free.gif" alt="Open access" align="top" border="0" /></a></div><p class="scheme"><img src="./bi2359contents.gif" alt="bi2359 scheme" /></p><div class="bibline"><p><i>Acta Cryst.</i> (2009). E<b>65</b>, m614&nbsp;&nbsp;&nbsp;&nbsp;[ <font size="2"><a title="Open URL link" href="http://dx.doi.org/10.1107/S1600536809013440">doi:10.1107/S1600536809013440</a></font> ]</p></div>
  27. <h3>[13,27-Dichloro-3,6,9,17,20,23-hexaazatetracyclo[23.3.1.1<span class="sup"><sup>11,15</sup></span>.0<span class="sup"><sup>2,6</sup></span>]triaconta-1(29),9,11,13,15(30),16,23,25,27-nonaene-29,30-diol-<img alt="[kappa]" border="0" src="/logos/entities/kappa_rmgif.gif" /><span class="sup"><sup>5</sup></span><span class="it"><i>N</i></span><span class="sup"><sup>17</sup></span>,<span class="it"><i>N</i></span><span class="sup"><sup>20</sup></span>,<span class="it"><i>N</i></span><span class="sup"><sup>23</sup></span>,<span class="it"><i>O</i></span><span class="sup"><sup>29</sup></span>,<span class="it"><i>O</i></span><span class="sup"><sup>30</sup></span>]bis(nitrato-<img alt="[kappa]" border="0" src="/logos/entities/kappa_rmgif.gif" /><span class="sup"><sup>2</sup></span><span class="it"><i>O</i></span>,<span class="it"><i>O</i></span>')europium(III) nitrate methanol hemisolvate</h3><h3><a href="http://scripts.iucr.org/cgi-bin/citedin?search_on=name&amp;author_name=Yue,%20X.-L.">X.-L. Yue</a></h3>
  28. <div class="abstract">
  29. <a name="abstract"></a>
  30. <div class="heading2">Abstract <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
  31. </div>
  32. <!-- endheading2div --><p>The title compound, [Eu<span class="sup"><sup>III</sup></span>(NO<span class="inf"><sub>3</sub></span>)<span class="inf"><sub>2</sub></span>(C<span class="inf"><sub>24</sub></span>H<span class="inf"><sub>28</sub></span>Cl<span class="inf"><sub>2</sub></span>N<span class="inf"><sub>6</sub></span>O<span class="inf"><sub>2</sub></span>)]NO<span class="inf"><sub>3</sub></span>&middot;0.5CH<span class="inf"><sub>3</sub></span>OH, is isostructural with the Gd<span class="sup"><sup>III</sup></span> and Ho<span class="sup"><sup>III</sup></span> complexes of the analogous macrocyclic ligand, with both Cl atoms replaced by methyl groups. The Eu atom exhibits a nine-coordinate distorted tricapped trigonal-prismatic coordination geometry. The methanol solvent molecule is disordered about a twofold rotation axis with occupancies of 0.543&nbsp;(12):0.457&nbsp;(12).</p></div>
  33. <!-- endabstractdiv -->
  34. <div class="contentslist">
  35. <ul>
  36. <li class="comment"><a title="Comment" href="#comment">Comment</a></li>
  37. <li class="relatedliterature"><a title="Related literature" href="#relatedliterature">Related literature</a></li>
  38. <li class="experimental"><a title="Experimental" href="#experimental">Experimental</a></li>
  39. <li class="refinement"><a title="Refinement" href="#refinement">Refinement</a></li>
  40. <li class="computingdetails"><a title="Computing details" href="#computingdetails">Computing details</a></li>
  41. <li class="figures"><a title="Figures" href="#figures">Figures</a></li>
  42. <li><a title="(I)" href="#chemicalname1">[13,27-Dichloro-3,6,9,17,20,23-
  43. hexaazatetracyclo[23.3.1.1<sup>11,15</sup>.0<sup>2,6</sup>]triaconta-
  44. 1(29),9,11,13,15&#160;(30),16,23,25,27-nonaene-29,30-diol-
  45. <span style="font-family:Times">&#954;</span><sup>5</sup><i>N</i><sup>17</sup>,<i>N</i><sup>20</sup>,<i>N</i><sup>23</sup>,<i>O</i><sup>29</sup>,<i>O</i><sup>30</sup>]
  46. bis(nitrato-<span style="font-family:Times">&#954;</span><sup>2</sup><i>O</i>,<i>O</i>')europium(III) nitrate methanol hemisolvate </a><ul>
  47. <li><a title="Crystal data" href="#crystaldata1">Crystal data</a></li>
  48. <li><a title="Data collection" href="#datacollection1">Data collection</a></li>
  49. <li><a title="Refinement data" href="#refinementdata1">Refinement data</a></li>
  50. <li class="specialdetails"><a title="Special details" href="#specialdetails1">Special details</a></li>
  51. <li class="licoords"><a title="Fractional atomic coordinates" href="#fractionalatomiccoordinates1">Fractional atomic coordinates</a></li>
  52. <li class="liadps"><a title="Atomic displacement parameters" href="#atomicdisplacement1">Atomic displacement parameters</a></li>
  53. <li class="ligeomlong"><a title="Geometric parameters" href="#geometricparameters1">Geometric parameters</a></li>
  54. </ul></li>
  55. <li class="acknowledgements"><a title="Acknowledgements" href="#acknowledgements">Acknowledgements</a></li>
  56. <li class="publreferences"><a title="References" href="#publreferences">References</a></li>
  57. </ul>
  58. </div>
  59. <!-- endcontentslistdiv -->
  60. <div class="comment">
  61. <a name="comment"></a>
  62. <div class="heading2">
  63. Comment <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
  64. </div>
  65. <!-- endheading2div --><p>Lanthanide macrocyclic complexes have received attention on account of their
  66. many valuable applications, for example as fluorescent probes in biological
  67. systems and as new luminescent materials (Bunzli &amp; Piguet, 2002;
  68. Alexander,
  69. 1995). Generally, the synthesis of lanthanide macrocyclic complexes is
  70. carried
  71. out by one-step condensation in the presence of a suitable lanthanide ion
  72. which acts as a template for the macrocycle formation.</p><p>Recently, Hu <i>et al.</i> have reported the crystal structures of Gd<sup>III</sup>,
  73. Ho<sup>III</sup> and Lu<sup>III</sup> complexes with the macrocyclic ligand derived from
  74. 2,6-diformyl-4-methylphenol and 1,5-diamino-3-azapentane (Hu, Chen, Qiu &amp; Pan,
  75. 2007; Hu, Qiu, Yuan &amp; Pan, 2007; Hu, Qiu, Zhao &amp; Pan,
  76. 2007). Herein we report
  77. a new Eu<sup>III</sup> analogue, synthesized by the same method using
  78. 2,6-diformyl-4-chlorophenol instead of 2,6-diformyl-4-methylphenol. The
  79. compound is isostructural with the previously reported Gd<sup>III</sup> and Ho<sup>III</sup>
  80. complexes.</p>
  81. </div>
  82. <!-- endcommentdiv -->
  83. <div class="relatedliterature">
  84. <a name="relatedliterature"></a>
  85. <div class="heading2">
  86. Related literature <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
  87. </div>
  88. <!-- endheading2div --><p>For applications of macrocyclic lanthanide complexes, see: Alexander
  89. (1995);
  90. Bunzli &amp; Piguet (2002). For related structures, see: Hu, Chen <i>et
  91. al</i>.
  92. (2007); Hu, Qiu, Yuan &amp; Pan (2007); Hu, Qiu, Zhao &amp; Pan
  93. (2007).</p>
  94. </div>
  95. <!-- endrelatedliteraturediv -->
  96. <div class="experimental">
  97. <a name="experimental"></a>
  98. <div class="heading2">
  99. Experimental <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
  100. </div>
  101. <!-- endheading2div --><p>1,5-Diamino-3-azapentane (1 mmol) was added dropwise to a methanolic solution
  102. (20 ml) of 2,6-diformyl-4-chlorophenol (1 mmol) and Eu(NO<sub>3</sub>)<sub>3</sub>.6H<sub>2</sub>O (0.5 mmol). After refluxing for 5 h, the solvent was removed and the resulting
  103. yellow solid was recrystallized from CH<sub>3</sub>CN to yield yellow block crystals.</p>
  104. </div>
  105. <!-- endexperimentaldiv -->
  106. <div class="refinement">
  107. <a name="refinement"></a>
  108. <div class="heading2">
  109. Refinement <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
  110. </div>
  111. <!-- endheading2div --><p>All carbon-bound H atoms were generated geometrically (C&#8212;H = 0.93&#8211;0.97 &#197;)
  112. and included in the refinement as riding with <i>U</i><sub>iso</sub>(H) = 1.2 or
  113. 1.5<i>U</i><sub>eq</sub>(C). The H atoms of the N&#8212;H group and methanol molecule were
  114. located in difference Fourier maps. The former was refined freely, while the
  115. latter was constrained to ride on the O atom with <i>U</i><sub>iso</sub>(H) =
  116. 1.5<i>U</i><sub>eq</sub>(O). Atoms O10 and O11 in the uncoordinated nitrate and O8 in
  117. the coordinate nitrate are modelled as disordered. The N&#8212;O distances
  118. were restrained to be comparable within the two disorder components (with
  119. s.u. 0.005 &#197;) and the displacement parameters of the disordered atoms were
  120. restrained to approximate isotropic behaviour. The C&#8212;O distance of the
  121. methanol molecule was restrained to 1.40&#160;(1) &#197;.</p>
  122. </div>
  123. <!-- endrefinementdiv -->
  124. <div class="computingdetails">
  125. <a name="computingdetails"></a>
  126. <div class="heading2">
  127. Computing details <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
  128. </div>
  129. <!-- endheading2div --><p>Data collection: <i>SMART</i> (Bruker, 2000); cell refinement: <i>SAINT</i> (Bruker, 2000); data reduction: <i>SAINT</i> (Bruker, 2000); program(s) used to solve structure: <i>SHELXTL</i> (Sheldrick, 2008); program(s) used to refine structure: <i>SHELXTL</i> (Sheldrick, 2008); molecular graphics: <i>SHELXTL</i> (Sheldrick, 2008); software used to prepare material for publication: <i>SHELXTL</i> (Sheldrick, 2008).</p>
  130. </div>
  131. <!-- endcomputingdetailsdiv -->
  132. <div class="schemes">
  133. <a href="./bi2359scheme1.gif"></a>
  134. </div>
  135. <!-- endschemesdiv -->
  136. <div class="figures">
  137. <div class="tablewrap">
  138. <a name="figures"></a>
  139. <div class="heading2">
  140. Figures <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
  141. </div>
  142. <!-- endheading2div --><table style="table-layout:fixed" width="100%" class="nodecs">
  143. <colgroup span="2">
  144. <col width="110"></col>
  145. <col></col>
  146. </colgroup>
  147. <tr><td class="nodecs" align="center" width="110">
  148. <a href="./bi2359fig1.html"><img width="100" src="./bi2359fig1thm.gif" alt="[Figure 1]" align="middle"/></a>
  149. </td><td class="nodecs" valign="middle" >
  150. <font size="2">Fig. 1. Molecular strucure with displacement ellipsoids drawn at the 30% probability
  151. level. H atoms are omitted.</font>
  152. </td></tr>
  153. <tr><td class="nodecs" align="center" width="110">
  154. <a href="./bi2359fig2.html"><img width="100" src="./bi2359fig2thm.gif" alt="[Figure 2]" align="middle"/></a>
  155. </td><td class="nodecs" valign="middle" >
  156. <font size="2">Fig. 2. Coordination polyhedron around the Eu<sup>III</sup> atom.</font>
  157. </td></tr>
  158. </table>
  159. </div>
  160. </div>
  161. <!-- endfiguresdiv -->
  162. <div class="datablock1">
  163. <div class="heading2">
  164. <a name="chemicalname1"></a>[13,27-Dichloro-3,6,9,17,20,23-
  165. hexaazatetracyclo[23.3.1.1<sup>11,15</sup>.0<sup>2,6</sup>]triaconta-
  166. 1(29),9,11,13,15&#160;(30),16,23,25,27-nonaene-29,30-diol-
  167. <span style="font-family:Times">&#954;</span><sup>5</sup><i>N</i><sup>17</sup>,<i>N</i><sup>20</sup>,<i>N</i><sup>23</sup>,<i>O</i><sup>29</sup>,<i>O</i><sup>30</sup>]
  168. bis(nitrato-<span style="font-family:Times">&#954;</span><sup>2</sup><i>O</i>,<i>O</i>')europium(III) nitrate methanol hemisolvate <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
  169. </div>
  170. <!-- endheading2div -->
  171. <div class="tablewrapcrystaldatalong">
  172. <a name="crystaldata1"></a><span class="heading3">Crystal data</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan --><table style="table-layout:fixed" width="80%" summary="" class="tabledata">
  173. <colgroup span="2">
  174. <col width="50%"></col>
  175. <col width="50%"></col>
  176. </colgroup>
  177. <tr><td width="50%" class="tabledata" >[Eu(NO<sub>3</sub>)<sub>2</sub>(C<sub>24</sub>H<sub>28</sub>Cl<sub>2</sub>N<sub>6</sub>O<sub>2</sub>)]NO<sub>3</sub>&#183;0.5CH<sub>4</sub>O</td><td width="50%" class="tabledata" ><i>F</i><sub>000</sub> = 3432</td></tr><tr><td width="50%" class="tabledata" ><i>M</i><i><sub>r</sub></i> = 857.44</td><td width="50%" class="tabledata" ><i>D</i><sub>x</sub> = 1.728 Mg m<span style="font-family:Times"><sup>&#8722;</sup></span><sup>3</sup></td></tr><tr><td width="50%" class="tabledata" >Monoclinic, <i>C</i>2/<i>c</i></td><td width="50%" class="tabledata" >Mo <i>K</i><span style="font-family:Times">&#945;</span> radiation <br /><span style="font-family:Times">&#955;</span> = 0.71073 &#197;</td></tr><tr><td width="50%" class="tabledata" >Hall symbol: -C 2yc</td><td width="50%" class="tabledata" >Cell parameters from 8071 reflections</td></tr><tr><td width="50%" class="tabledata" ><i>a</i> = 23.7371 (16) &#197;</td><td width="50%" class="tabledata" ><span style="font-family:Times">&#952;</span> = 2.6&#8211;27.9&#186;</td></tr><tr><td width="50%" class="tabledata" ><i>b</i> = 14.3327 (10) &#197;</td><td width="50%" class="tabledata" >&#181; = 2.14 mm<span style="font-family:Times"><sup>&#8722;</sup></span><sup>1</sup></td></tr><tr><td width="50%" class="tabledata" ><i>c</i> = 19.3880 (13) &#197;</td><td width="50%" class="tabledata" ><i>T</i> = 293 K</td></tr><tr><td width="50%" class="tabledata" ><span style="font-family:Times">&#946;</span> = 91.804 (1)&#186;</td><td width="50%" class="tabledata" >Block, yellow</td></tr><tr><td width="50%" class="tabledata" ><i>V</i> = 6592.9 (8) &#197;<sup>3</sup></td><td width="50%" class="tabledata" >0.30 &#215; 0.22 &#215; 0.20 mm</td></tr><tr><td width="50%" class="tabledata" ><i>Z</i> = 8</td><td width="50%" class="tabledata" ></td></tr></table><!-- endtabledatatable -->
  178. </div>
  179. <!-- endtablewrapcrystaldatalongdiv -->
  180. <div class="tablewrapdatacollectionlong">
  181. <a name="datacollection1"></a><span class="heading3">Data collection</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan --><table style="table-layout:fixed" width="80%" summary="" class="tabledata">
  182. <colgroup span="2">
  183. <col width="50%"></col>
  184. <col width="50%"></col>
  185. </colgroup>
  186. <tr><td width="50%" class="tabledata" >Bruker SMART CCD <br />diffractometer</td><td width="50%" class="tabledata" >6469 independent reflections</td></tr><tr><td width="50%" class="tabledata" >Radiation source: sealed tube</td><td width="50%" class="tabledata" >5337 reflections with <i>I</i> > 2<span style="font-family:Times">&#963;</span>(<i>I</i>)</td></tr><tr><td width="50%" class="tabledata" >Monochromator: graphite</td><td width="50%" class="tabledata" ><i>R</i><sub>int</sub> = 0.016</td></tr><tr><td width="50%" class="tabledata" ><i>T</i> = 293 K</td><td width="50%" class="tabledata" ><span style="font-family:Times">&#952;</span><sub>max</sub> = 26.0&#186;</td></tr><tr><td width="50%" class="tabledata" ><span style="font-family:Times">&#966;</span> and <span style="font-family:Times">&#969;</span> scans</td><td width="50%" class="tabledata" ><span style="font-family:Times">&#952;</span><sub>min</sub> = 2.0&#186;</td></tr><tr><td width="50%" class="tabledata" >Absorption correction: multi-scan<br />(SADABS; Bruker, 2000)</td><td width="50%" class="tabledata" ><i>h</i> = <span style="font-family:Times">&#8722;</span>28&#8594;29</td></tr><tr><td width="50%" class="tabledata" ><i>T</i><sub>min</sub> = 0.58, <i>T</i><sub>max</sub> = 0.66</td><td width="50%" class="tabledata" ><i>k</i> = <span style="font-family:Times">&#8722;</span>13&#8594;17</td></tr><tr><td width="50%" class="tabledata" >18638 measured reflections</td><td width="50%" class="tabledata" ><i>l</i> = <span style="font-family:Times">&#8722;</span>16&#8594;23</td></tr></table><!-- endtabledatatable -->
  187. </div>
  188. <!-- endtablewrapdatacollectionlongdiv -->
  189. <div class="tablewraprefinementdatalong">
  190. <a name="refinementdata1"></a><span class="heading3">Refinement</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan --><table style="table-layout:fixed" width="80%" summary="" class="tabledata">
  191. <colgroup span="2">
  192. <col width="50%"></col>
  193. <col width="50%"></col>
  194. </colgroup>
  195. <tr><td width="50%" class="tabledata" >Refinement on <i>F</i><sup>2</sup></td><td width="50%" class="tabledata" >Secondary atom site location: difference Fourier map</td></tr><tr><td width="50%" class="tabledata" >Least-squares matrix: full</td><td width="50%" class="tabledata" >Hydrogen site location: inferred from neighbouring sites</td></tr><tr><td width="50%" class="tabledata" ><i>R</i>[<i>F</i><sup>2</sup> > 2<span style="font-family:Times">&#963;</span>(<i>F</i><sup>2</sup>)] = 0.032</td><td width="50%" class="tabledata" >H atoms treated by a mixture of<br /> independent and constrained refinement</td></tr><tr><td width="50%" class="tabledata" ><i>wR</i>(<i>F</i><sup>2</sup>) = 0.088</td><td width="50%" class="tabledata" >&#160; <i>w</i> = 1/[<span style="font-family:Times">&#963;</span><sup>2</sup>(<i>F</i><sub>o</sub><sup>2</sup>) + (0.0424<i>P</i>)<sup>2</sup> + 14.6115<i>P</i>] <br />where <i>P</i> = (<i>F</i><sub>o</sub><sup>2</sup> + 2<i>F</i><sub>c</sub><sup>2</sup>)/3</td></tr><tr><td width="50%" class="tabledata" ><i>S</i> = 1.02</td><td width="50%" class="tabledata" >(&#916;/<span style="font-family:Times">&#963;</span>)<sub>max</sub> = 0.001</td></tr><tr><td width="50%" class="tabledata" >6469 reflections</td><td width="50%" class="tabledata" >&#916;<span style="font-family:Times">&#961;</span><sub>max</sub> = 1.37 e &#197;<span style="font-family:Times"><sup>&#8722;</sup></span><sup>3</sup></td></tr><tr><td width="50%" class="tabledata" >453 parameters</td><td width="50%" class="tabledata" >&#916;<span style="font-family:Times">&#961;</span><sub>min</sub> = <span style="font-family:Times">&#8722;</span>0.81 e &#197;<span style="font-family:Times"><sup>&#8722;</sup></span><sup>3</sup></td></tr><tr><td width="50%" class="tabledata" >62 restraints</td><td width="50%" class="tabledata" >Extinction correction: none</td></tr><tr><td width="50%" class="tabledata" >Primary atom site location: structure-invariant direct methods</td><td width="50%" class="tabledata" ></td></tr></table><!-- endtabledatatable -->
  196. </div>
  197. <!-- endtablewraprefinementdatalongdiv -->
  198. <div class="tablewrapcrystaldatashort">
  199. <a name="crystaldata1"></a><span class="heading3">Crystal data</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan --><table style="table-layout:fixed" width="80%" summary="" class="tabledata">
  200. <colgroup span="2">
  201. <col width="50%"></col>
  202. <col width="50%"></col>
  203. </colgroup>
  204. <tr><td width="50%" class="tabledata" >[Eu(NO<sub>3</sub>)<sub>2</sub>(C<sub>24</sub>H<sub>28</sub>Cl<sub>2</sub>N<sub>6</sub>O<sub>2</sub>)]NO<sub>3</sub>&#183;0.5CH<sub>4</sub>O</td><td width="50%" class="tabledata" ><i>V</i> = 6592.9 (8) &#197;<sup>3</sup></td></tr><tr><td width="50%" class="tabledata" ><i>M</i><i><sub>r</sub></i> = 857.44</td><td width="50%" class="tabledata" ><i>Z</i> = 8</td></tr><tr><td width="50%" class="tabledata" >Monoclinic, <i>C</i>2/<i>c</i></td><td width="50%" class="tabledata" >Mo <i>K</i><span style="font-family:Times">&#945;</span></td></tr><tr><td width="50%" class="tabledata" ><i>a</i> = 23.7371 (16) &#197;</td><td width="50%" class="tabledata" >&#181; = 2.14 mm<span style="font-family:Times"><sup>&#8722;</sup></span><sup>1</sup></td></tr><tr><td width="50%" class="tabledata" ><i>b</i> = 14.3327 (10) &#197;</td><td width="50%" class="tabledata" ><i>T</i> = 293 K</td></tr><tr><td width="50%" class="tabledata" ><i>c</i> = 19.3880 (13) &#197;</td><td width="50%" class="tabledata" >0.30 &#215; 0.22 &#215; 0.20 mm</td></tr><tr><td width="50%" class="tabledata" ><span style="font-family:Times">&#946;</span> = 91.804 (1)&#186;</td><td width="50%" class="tabledata" ></td></tr></table><!-- endtabledatatable -->
  205. </div>
  206. <!-- endtablewrapcrystaldatashortdiv -->
  207. <div class="tablewrapdatacollectionshort">
  208. <a name="datacollection1"></a><span class="heading3">Data collection</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan --><table style="table-layout:fixed" width="80%" summary="" class="tabledata">
  209. <colgroup span="2">
  210. <col width="50%"></col>
  211. <col width="50%"></col>
  212. </colgroup>
  213. <tr><td width="50%" class="tabledata" >Bruker SMART CCD <br />diffractometer</td><td width="50%" class="tabledata" >6469 independent reflections</td></tr><tr><td width="50%" class="tabledata" >Absorption correction: multi-scan<br />(SADABS; Bruker, 2000)</td><td width="50%" class="tabledata" >5337 reflections with <i>I</i> > 2<span style="font-family:Times">&#963;</span>(<i>I</i>)</td></tr><tr><td width="50%" class="tabledata" ><i>T</i><sub>min</sub> = 0.58, <i>T</i><sub>max</sub> = 0.66</td><td width="50%" class="tabledata" ><i>R</i><sub>int</sub> = 0.016</td></tr><tr><td width="50%" class="tabledata" >18638 measured reflections</td><td width="50%" class="tabledata" ></td></tr></table><!-- endtabledatatable -->
  214. </div>
  215. <!-- endtablewrapdatacollectionshortdiv -->
  216. <div class="tablewraprefinementdatashort">
  217. <a name="refinementdata1"></a><span class="heading3">Refinement</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan --><table style="table-layout:fixed" width="80%" summary="" class="tabledata">
  218. <colgroup span="2">
  219. <col width="50%"></col>
  220. <col width="50%"></col>
  221. </colgroup>
  222. <tr><td width="50%" class="tabledata" ><i>R</i>[<i>F</i><sup>2</sup> > 2<span style="font-family:Times">&#963;</span>(<i>F</i><sup>2</sup>)] = 0.032</td><td width="50%" class="tabledata" >62 restraints</td></tr><tr><td width="50%" class="tabledata" ><i>wR</i>(<i>F</i><sup>2</sup>) = 0.088</td><td width="50%" class="tabledata" >H atoms treated by a mixture of<br /> independent and constrained refinement</td></tr><tr><td width="50%" class="tabledata" ><i>S</i> = 1.02</td><td width="50%" class="tabledata" >&#160; <i>w</i> = 1/[<span style="font-family:Times">&#963;</span><sup>2</sup>(<i>F</i><sub>o</sub><sup>2</sup>) + (0.0424<i>P</i>)<sup>2</sup> + 14.6115<i>P</i>] <br />where <i>P</i> = (<i>F</i><sub>o</sub><sup>2</sup> + 2<i>F</i><sub>c</sub><sup>2</sup>)/3</td></tr><tr><td width="50%" class="tabledata" >6469 reflections</td><td width="50%" class="tabledata" >&#916;<span style="font-family:Times">&#961;</span><sub>max</sub> = 1.37 e &#197;<span style="font-family:Times"><sup>&#8722;</sup></span><sup>3</sup></td></tr><tr><td width="50%" class="tabledata" >453 parameters</td><td width="50%" class="tabledata" >&#916;<span style="font-family:Times">&#961;</span><sub>min</sub> = <span style="font-family:Times">&#8722;</span>0.81 e &#197;<span style="font-family:Times"><sup>&#8722;</sup></span><sup>3</sup></td></tr></table><!-- endtabledatatable -->
  223. </div>
  224. <!-- endtablewraprefinementdatashortdiv -->
  225. <div class="specialdetails">
  226. <div class="tablewrap">
  227. <a name="specialdetails1"></a><span class="heading3">Special details</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
  228. <table style="table-layout:fixed" width="100%" class="tabledata">
  229. <tr><td class="tabledata"><p><b>Geometry</b>. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
  230. are estimated using the full covariance matrix. The cell e.s.d.'s are taken
  231. into account individually in the estimation of e.s.d.'s in distances, angles
  232. and torsion angles; correlations between e.s.d.'s in cell parameters are only
  233. used when they are defined by crystal symmetry. An approximate (isotropic)
  234. treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
  235. planes.</p></td></tr>
  236. <tr><td class="tabledata"><p><b>Refinement</b>. Refinement of <i>F</i><sup>2</sup> against ALL reflections. The weighted <i>R</i>-factor
  237. <i>wR</i> and goodness of fit <i>S</i> are based on <i>F</i><sup>2</sup>, conventional
  238. <i>R</i>-factors <i>R</i> are based on <i>F</i>, with <i>F</i> set to zero for
  239. negative <i>F</i><sup>2</sup>. The threshold expression of <i>F</i><sup>2</sup> >
  240. <span style="font-family:Times">&#963;</span>(<i>F</i><sup>2</sup>) is used only for calculating <i>R</i>-factors(gt) <i>etc</i>.
  241. and is not relevant to the choice of reflections for refinement.
  242. <i>R</i>-factors based on <i>F</i><sup>2</sup> are statistically about twice as large
  243. as those based on <i>F</i>, and <i>R</i>- factors based on ALL data will be
  244. even larger.</p></td></tr></table>
  245. </div>
  246. </div>
  247. <!-- endspecialdetailsdiv -->
  248. <div class="tablewrapcoords">
  249. <a name="fractionalatomiccoordinates1"></a> <span class="heading3">Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (&#197;<sup>2</sup>)</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan --><table style="table-layout:fixed" width="100%" summary="" class="tabledata"><tr><td class="tabledata" > </td><td class="tabledata" ><i>x</i></td><td class="tabledata" ><i>y</i></td><td class="tabledata" ><i>z</i></td><td class="tabledata" ><i>U</i><sub>iso</sub>*/<i>U</i><sub>eq</sub></td><td class="tabledata" >Occ. (&lt;1)</td></tr><tr><td class="tabledata" >Eu1</td><td class="tabledata" >0.132267 (7)</td><td class="tabledata" >0.505891 (12)</td><td class="tabledata" >0.114103 (11)</td><td class="tabledata" >0.04946 (8)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >Cl1</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.09862 (5)</td><td class="tabledata" >0.87749 (10)</td><td class="tabledata" >0.19253 (8)</td><td class="tabledata" >0.0924 (4)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >Cl2</td><td class="tabledata" >0.44821 (4)</td><td class="tabledata" >0.56791 (11)</td><td class="tabledata" >0.04485 (7)</td><td class="tabledata" >0.0868 (4)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >N1</td><td class="tabledata" >0.02753 (14)</td><td class="tabledata" >0.4948 (2)</td><td class="tabledata" >0.1406 (2)</td><td class="tabledata" >0.0578 (9)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >N2</td><td class="tabledata" >0.08955 (15)</td><td class="tabledata" >0.3511 (3)</td><td class="tabledata" >0.0744 (2)</td><td class="tabledata" >0.0720 (11)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H2</td><td class="tabledata" >0.1009</td><td class="tabledata" >0.3075</td><td class="tabledata" >0.1060</td><td class="tabledata" >0.086*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >N3</td><td class="tabledata" >0.20067 (15)</td><td class="tabledata" >0.3992 (3)</td><td class="tabledata" >0.0512 (2)</td><td class="tabledata" >0.0682 (10)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >N4</td><td class="tabledata" >0.24192 (12)</td><td class="tabledata" >0.7536 (2)</td><td class="tabledata" >0.16799 (16)</td><td class="tabledata" >0.0532 (8)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >N5</td><td class="tabledata" >0.25996 (14)</td><td class="tabledata" >0.6549 (3)</td><td class="tabledata" >0.25521 (17)</td><td class="tabledata" >0.0677 (10)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H5A</td><td class="tabledata" >0.2367</td><td class="tabledata" >0.6078</td><td class="tabledata" >0.2429</td><td class="tabledata" >0.081*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H5B</td><td class="tabledata" >0.2859</td><td class="tabledata" >0.6335</td><td class="tabledata" >0.2862</td><td class="tabledata" >0.081*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >N6</td><td class="tabledata" >0.14960 (12)</td><td class="tabledata" >0.8091 (2)</td><td class="tabledata" >0.09364 (17)</td><td class="tabledata" >0.0500 (7)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H6</td><td class="tabledata" >0.1482 (19)</td><td class="tabledata" >0.750 (4)</td><td class="tabledata" >0.093 (2)</td><td class="tabledata" >0.075 (15)*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >O1</td><td class="tabledata" >0.22095 (10)</td><td class="tabledata" >0.5406 (2)</td><td class="tabledata" >0.15231 (14)</td><td class="tabledata" >0.0581 (7)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >O2</td><td class="tabledata" >0.09634 (10)</td><td class="tabledata" >0.65382 (18)</td><td class="tabledata" >0.12070 (15)</td><td class="tabledata" >0.0543 (6)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C1</td><td class="tabledata" >0.05213 (14)</td><td class="tabledata" >0.7012 (3)</td><td class="tabledata" >0.13456 (18)</td><td class="tabledata" >0.0448 (8)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C2</td><td class="tabledata" >0.05371 (14)</td><td class="tabledata" >0.7998 (3)</td><td class="tabledata" >0.13119 (19)</td><td class="tabledata" >0.0479 (8)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C3</td><td class="tabledata" >0.00702 (16)</td><td class="tabledata" >0.8538 (3)</td><td class="tabledata" >0.1483 (2)</td><td class="tabledata" >0.0576 (10)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H3</td><td class="tabledata" >0.0087</td><td class="tabledata" >0.9186</td><td class="tabledata" >0.1459</td><td class="tabledata" >0.069*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C4</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.04138 (16)</td><td class="tabledata" >0.8101 (3)</td><td class="tabledata" >0.1685 (2)</td><td class="tabledata" >0.0602 (10)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C5</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.04490 (15)</td><td class="tabledata" >0.7141 (3)</td><td class="tabledata" >0.1701 (2)</td><td class="tabledata" >0.0584 (10)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H5</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0783</td><td class="tabledata" >0.6861</td><td class="tabledata" >0.1831</td><td class="tabledata" >0.070*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C6</td><td class="tabledata" >0.00017 (14)</td><td class="tabledata" >0.6583 (3)</td><td class="tabledata" >0.15280 (19)</td><td class="tabledata" >0.0497 (9)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C7</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.00850 (15)</td><td class="tabledata" >0.5575 (3)</td><td class="tabledata" >0.1519 (2)</td><td class="tabledata" >0.0576 (10)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H7</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0447</td><td class="tabledata" >0.5370</td><td class="tabledata" >0.1607</td><td class="tabledata" >0.069*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C8</td><td class="tabledata" >0.00742 (19)</td><td class="tabledata" >0.3978 (3)</td><td class="tabledata" >0.1386 (3)</td><td class="tabledata" >0.0761 (14)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H8A</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0334</td><td class="tabledata" >0.3967</td><td class="tabledata" >0.1393</td><td class="tabledata" >0.091*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H8B</td><td class="tabledata" >0.0221</td><td class="tabledata" >0.3642</td><td class="tabledata" >0.1787</td><td class="tabledata" >0.091*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C9</td><td class="tabledata" >0.02697 (18)</td><td class="tabledata" >0.3523 (3)</td><td class="tabledata" >0.0740 (3)</td><td class="tabledata" >0.0811 (15)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H9A</td><td class="tabledata" >0.0127</td><td class="tabledata" >0.2889</td><td class="tabledata" >0.0712</td><td class="tabledata" >0.097*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H9B</td><td class="tabledata" >0.0126</td><td class="tabledata" >0.3864</td><td class="tabledata" >0.0340</td><td class="tabledata" >0.097*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C10</td><td class="tabledata" >0.1133 (2)</td><td class="tabledata" >0.3240 (4)</td><td class="tabledata" >0.0092 (3)</td><td class="tabledata" >0.0850 (15)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H10A</td><td class="tabledata" >0.1036</td><td class="tabledata" >0.3703</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0257</td><td class="tabledata" >0.102*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H10B</td><td class="tabledata" >0.0974</td><td class="tabledata" >0.2647</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0056</td><td class="tabledata" >0.102*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C11</td><td class="tabledata" >0.1762 (2)</td><td class="tabledata" >0.3157 (4)</td><td class="tabledata" >0.0168 (3)</td><td class="tabledata" >0.0911 (17)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H11A</td><td class="tabledata" >0.1858</td><td class="tabledata" >0.2606</td><td class="tabledata" >0.0437</td><td class="tabledata" >0.109*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H11B</td><td class="tabledata" >0.1921</td><td class="tabledata" >0.3087</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0284</td><td class="tabledata" >0.109*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C12</td><td class="tabledata" >0.25325 (19)</td><td class="tabledata" >0.4135 (3)</td><td class="tabledata" >0.0422 (3)</td><td class="tabledata" >0.0697 (12)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H12</td><td class="tabledata" >0.2708</td><td class="tabledata" >0.3721</td><td class="tabledata" >0.0128</td><td class="tabledata" >0.084*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C13</td><td class="tabledata" >0.28854 (17)</td><td class="tabledata" >0.4860 (3)</td><td class="tabledata" >0.0720 (2)</td><td class="tabledata" >0.0586 (10)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C14</td><td class="tabledata" >0.34386 (19)</td><td class="tabledata" >0.4933 (3)</td><td class="tabledata" >0.0490 (2)</td><td class="tabledata" >0.0660 (12)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H14</td><td class="tabledata" >0.3567</td><td class="tabledata" >0.4506</td><td class="tabledata" >0.0170</td><td class="tabledata" >0.079*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C15</td><td class="tabledata" >0.37933 (16)</td><td class="tabledata" >0.5622 (3)</td><td class="tabledata" >0.0730 (2)</td><td class="tabledata" >0.0625 (11)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C16</td><td class="tabledata" >0.36114 (15)</td><td class="tabledata" >0.6265 (3)</td><td class="tabledata" >0.1197 (2)</td><td class="tabledata" >0.0582 (10)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H16</td><td class="tabledata" >0.3852</td><td class="tabledata" >0.6741</td><td class="tabledata" >0.1348</td><td class="tabledata" >0.070*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C17</td><td class="tabledata" >0.30710 (14)</td><td class="tabledata" >0.6210 (3)</td><td class="tabledata" >0.1445 (2)</td><td class="tabledata" >0.0542 (9)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C18</td><td class="tabledata" >0.27015 (14)</td><td class="tabledata" >0.5485 (3)</td><td class="tabledata" >0.1232 (2)</td><td class="tabledata" >0.0520 (9)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C19</td><td class="tabledata" >0.28796 (15)</td><td class="tabledata" >0.6941 (3)</td><td class="tabledata" >0.1932 (2)</td><td class="tabledata" >0.0573 (10)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H19</td><td class="tabledata" >0.3201</td><td class="tabledata" >0.7329</td><td class="tabledata" >0.2081</td><td class="tabledata" >0.069*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C20</td><td class="tabledata" >0.2276 (2)</td><td class="tabledata" >0.7336 (4)</td><td class="tabledata" >0.2848 (2)</td><td class="tabledata" >0.0845 (16)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H20A</td><td class="tabledata" >0.2458</td><td class="tabledata" >0.7561</td><td class="tabledata" >0.3271</td><td class="tabledata" >0.101*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H20B</td><td class="tabledata" >0.1894</td><td class="tabledata" >0.7146</td><td class="tabledata" >0.2943</td><td class="tabledata" >0.101*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C21</td><td class="tabledata" >0.22782 (18)</td><td class="tabledata" >0.8080 (4)</td><td class="tabledata" >0.2290 (2)</td><td class="tabledata" >0.0702 (13)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H21A</td><td class="tabledata" >0.1912</td><td class="tabledata" >0.8374</td><td class="tabledata" >0.2232</td><td class="tabledata" >0.084*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H21B</td><td class="tabledata" >0.2560</td><td class="tabledata" >0.8555</td><td class="tabledata" >0.2392</td><td class="tabledata" >0.084*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C22</td><td class="tabledata" >0.25275 (15)</td><td class="tabledata" >0.8039 (3)</td><td class="tabledata" >0.1050 (2)</td><td class="tabledata" >0.0584 (10)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H22A</td><td class="tabledata" >0.2638</td><td class="tabledata" >0.7600</td><td class="tabledata" >0.0698</td><td class="tabledata" >0.070*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H22B</td><td class="tabledata" >0.2839</td><td class="tabledata" >0.8468</td><td class="tabledata" >0.1134</td><td class="tabledata" >0.070*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C23</td><td class="tabledata" >0.20158 (16)</td><td class="tabledata" >0.8584 (3)</td><td class="tabledata" >0.0787 (2)</td><td class="tabledata" >0.0608 (10)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H23A</td><td class="tabledata" >0.2013</td><td class="tabledata" >0.9193</td><td class="tabledata" >0.1004</td><td class="tabledata" >0.073*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H23B</td><td class="tabledata" >0.2038</td><td class="tabledata" >0.8674</td><td class="tabledata" >0.0293</td><td class="tabledata" >0.073*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >C24</td><td class="tabledata" >0.10390 (15)</td><td class="tabledata" >0.8487 (3)</td><td class="tabledata" >0.1123 (2)</td><td class="tabledata" >0.0517 (9)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H24</td><td class="tabledata" >0.1032</td><td class="tabledata" >0.9136</td><td class="tabledata" >0.1137</td><td class="tabledata" >0.062*</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >N7</td><td class="tabledata" >0.12585 (13)</td><td class="tabledata" >0.6082 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.01481 (18)</td><td class="tabledata" >0.0570 (8)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >O3</td><td class="tabledata" >0.09247 (12)</td><td class="tabledata" >0.5410 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.00393 (16)</td><td class="tabledata" >0.0666 (7)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >O4</td><td class="tabledata" >0.17132 (10)</td><td class="tabledata" >0.6095 (2)</td><td class="tabledata" >0.02117 (15)</td><td class="tabledata" >0.0602 (7)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >O5</td><td class="tabledata" >0.11402 (13)</td><td class="tabledata" >0.6698 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.05529 (18)</td><td class="tabledata" >0.0798 (9)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >N8</td><td class="tabledata" >0.14009 (18)</td><td class="tabledata" >0.4670 (5)</td><td class="tabledata" >0.2623 (3)</td><td class="tabledata" >0.0941 (16)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >O6</td><td class="tabledata" >0.13883 (15)</td><td class="tabledata" >0.4020 (3)</td><td class="tabledata" >0.2184 (2)</td><td class="tabledata" >0.0917 (12)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >O7</td><td class="tabledata" >0.13077 (13)</td><td class="tabledata" >0.5480 (3)</td><td class="tabledata" >0.24185 (17)</td><td class="tabledata" >0.0784 (9)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >O8</td><td class="tabledata" >0.1559 (4)</td><td class="tabledata" >0.4690 (9)</td><td class="tabledata" >0.3256 (3)</td><td class="tabledata" >0.099 (2)</td><td class="tabledata" >0.543&#160;(12)</td></tr><tr><td class="tabledata" >O8'</td><td class="tabledata" >0.1383 (5)</td><td class="tabledata" >0.4232 (9)</td><td class="tabledata" >0.3188 (5)</td><td class="tabledata" >0.099 (2)</td><td class="tabledata" >0.457&#160;(12)</td></tr><tr><td class="tabledata" >N9</td><td class="tabledata" >0.36911 (18)</td><td class="tabledata" >0.6104 (3)</td><td class="tabledata" >0.3621 (2)</td><td class="tabledata" >0.0765 (11)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >O9</td><td class="tabledata" >0.4091 (2)</td><td class="tabledata" >0.5910 (4)</td><td class="tabledata" >0.3993 (3)</td><td class="tabledata" >0.1301 (16)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >O10</td><td class="tabledata" >0.3339 (3)</td><td class="tabledata" >0.5519 (5)</td><td class="tabledata" >0.3452 (4)</td><td class="tabledata" >0.104 (2)</td><td class="tabledata" >0.687&#160;(7)</td></tr><tr><td class="tabledata" >O11</td><td class="tabledata" >0.3656 (3)</td><td class="tabledata" >0.6888 (3)</td><td class="tabledata" >0.3356 (3)</td><td class="tabledata" >0.0957 (17)</td><td class="tabledata" >0.687&#160;(7)</td></tr><tr><td class="tabledata" >O10'</td><td class="tabledata" >0.3531 (7)</td><td class="tabledata" >0.5516 (10)</td><td class="tabledata" >0.3194 (7)</td><td class="tabledata" >0.104 (2)</td><td class="tabledata" >0.313&#160;(7)</td></tr><tr><td class="tabledata" >O11'</td><td class="tabledata" >0.3356 (5)</td><td class="tabledata" >0.6730 (8)</td><td class="tabledata" >0.3750 (7)</td><td class="tabledata" >0.0957 (17)</td><td class="tabledata" >0.313&#160;(7)</td></tr><tr><td class="tabledata" >C1M</td><td class="tabledata" >0.5000</td><td class="tabledata" >0.6209 (14)</td><td class="tabledata" >0.2500</td><td class="tabledata" >0.220 (8)</td><td class="tabledata" ></td></tr><tr><td class="tabledata" >H1MA</td><td class="tabledata" >0.5386</td><td class="tabledata" >0.6246</td><td class="tabledata" >0.2370</td><td class="tabledata" >0.330*</td><td class="tabledata" >0.50</td></tr><tr><td class="tabledata" >H1MB</td><td class="tabledata" >0.4985</td><td class="tabledata" >0.6041</td><td class="tabledata" >0.2978</td><td class="tabledata" >0.330*</td><td class="tabledata" >0.50</td></tr><tr><td class="tabledata" >H1MC</td><td class="tabledata" >0.4808</td><td class="tabledata" >0.5744</td><td class="tabledata" >0.2224</td><td class="tabledata" >0.330*</td><td class="tabledata" >0.50</td></tr><tr><td class="tabledata" >O1M</td><td class="tabledata" >0.4733 (8)</td><td class="tabledata" >0.7024 (13)</td><td class="tabledata" >0.2367 (13)</td><td class="tabledata" >0.295 (11)</td><td class="tabledata" >0.50</td></tr><tr><td class="tabledata" >H1WD</td><td class="tabledata" >0.4442</td><td class="tabledata" >0.7310</td><td class="tabledata" >0.2458</td><td class="tabledata" >0.442*</td><td class="tabledata" >0.50</td></tr></table>
  250. </div>
  251. <!-- endtablewrapcoordsdiv -->
  252. <div class="tablewrapadps">
  253. <a name="atomicdisplacement1"></a> <span class="heading3">Atomic displacement parameters (&#197;<sup>2</sup>)</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan --><table style="table-layout:fixed" width="100%" summary="" class="tabledata"><tr><td class="tabledata" > </td><td class="tabledata" ><i>U</i><sup>11</sup></td><td class="tabledata" ><i>U</i><sup>22</sup></td><td class="tabledata" ><i>U</i><sup>33</sup></td><td class="tabledata" ><i>U</i><sup>12</sup></td><td class="tabledata" ><i>U</i><sup>13</sup></td><td class="tabledata" ><i>U</i><sup>23</sup></td></tr><tr><td class="tabledata" >Eu1</td><td class="tabledata" >0.03538 (11)</td><td class="tabledata" >0.04471 (12)</td><td class="tabledata" >0.06810 (15)</td><td class="tabledata" >0.00163 (7)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.00116 (8)</td><td class="tabledata" >0.00535 (8)</td></tr><tr><td class="tabledata" >Cl1</td><td class="tabledata" >0.0600 (7)</td><td class="tabledata" >0.0939 (9)</td><td class="tabledata" >0.1253 (11)</td><td class="tabledata" >0.0351 (6)</td><td class="tabledata" >0.0364 (7)</td><td class="tabledata" >0.0337 (8)</td></tr><tr><td class="tabledata" >Cl2</td><td class="tabledata" >0.0409 (5)</td><td class="tabledata" >0.1263 (11)</td><td class="tabledata" >0.0944 (9)</td><td class="tabledata" >0.0189 (6)</td><td class="tabledata" >0.0194 (5)</td><td class="tabledata" >0.0119 (8)</td></tr><tr><td class="tabledata" >N1</td><td class="tabledata" >0.0387 (17)</td><td class="tabledata" >0.0527 (19)</td><td class="tabledata" >0.082 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0089 (14)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0029 (16)</td><td class="tabledata" >0.0151 (16)</td></tr><tr><td class="tabledata" >N2</td><td class="tabledata" >0.055 (2)</td><td class="tabledata" >0.052 (2)</td><td class="tabledata" >0.108 (3)</td><td class="tabledata" >0.0004 (16)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.014 (2)</td><td class="tabledata" >0.002 (2)</td></tr><tr><td class="tabledata" >N3</td><td class="tabledata" >0.059 (2)</td><td class="tabledata" >0.055 (2)</td><td class="tabledata" >0.091 (3)</td><td class="tabledata" >0.0117 (17)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0009 (19)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0088 (18)</td></tr><tr><td class="tabledata" >N4</td><td class="tabledata" >0.0346 (15)</td><td class="tabledata" >0.069 (2)</td><td class="tabledata" >0.0562 (19)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0009 (14)</td><td class="tabledata" >0.0057 (13)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0043 (15)</td></tr><tr><td class="tabledata" >N5</td><td class="tabledata" >0.0447 (18)</td><td class="tabledata" >0.104 (3)</td><td class="tabledata" >0.054 (2)</td><td class="tabledata" >0.0002 (18)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0010 (15)</td><td class="tabledata" >0.0061 (19)</td></tr><tr><td class="tabledata" >N6</td><td class="tabledata" >0.0378 (15)</td><td class="tabledata" >0.0477 (19)</td><td class="tabledata" >0.065 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0017 (14)</td><td class="tabledata" >0.0060 (14)</td><td class="tabledata" >0.0057 (15)</td></tr><tr><td class="tabledata" >O1</td><td class="tabledata" >0.0344 (13)</td><td class="tabledata" >0.0762 (19)</td><td class="tabledata" >0.0637 (17)</td><td class="tabledata" >0.0021 (12)</td><td class="tabledata" >0.0033 (11)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0021 (14)</td></tr><tr><td class="tabledata" >O2</td><td class="tabledata" >0.0368 (13)</td><td class="tabledata" >0.0453 (14)</td><td class="tabledata" >0.0814 (19)</td><td class="tabledata" >0.0022 (11)</td><td class="tabledata" >0.0128 (12)</td><td class="tabledata" >0.0044 (13)</td></tr><tr><td class="tabledata" >C1</td><td class="tabledata" >0.0346 (16)</td><td class="tabledata" >0.051 (2)</td><td class="tabledata" >0.049 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0001 (14)</td><td class="tabledata" >0.0021 (14)</td><td class="tabledata" >0.0074 (15)</td></tr><tr><td class="tabledata" >C2</td><td class="tabledata" >0.0407 (18)</td><td class="tabledata" >0.050 (2)</td><td class="tabledata" >0.053 (2)</td><td class="tabledata" >0.0026 (15)</td><td class="tabledata" >0.0044 (15)</td><td class="tabledata" >0.0061 (16)</td></tr><tr><td class="tabledata" >C3</td><td class="tabledata" >0.051 (2)</td><td class="tabledata" >0.055 (2)</td><td class="tabledata" >0.067 (3)</td><td class="tabledata" >0.0102 (18)</td><td class="tabledata" >0.0099 (18)</td><td class="tabledata" >0.0108 (19)</td></tr><tr><td class="tabledata" >C4</td><td class="tabledata" >0.0405 (19)</td><td class="tabledata" >0.071 (3)</td><td class="tabledata" >0.070 (3)</td><td class="tabledata" >0.0138 (18)</td><td class="tabledata" >0.0092 (18)</td><td class="tabledata" >0.016 (2)</td></tr><tr><td class="tabledata" >C5</td><td class="tabledata" >0.0366 (18)</td><td class="tabledata" >0.072 (3)</td><td class="tabledata" >0.067 (3)</td><td class="tabledata" >0.0045 (18)</td><td class="tabledata" >0.0066 (17)</td><td class="tabledata" >0.020 (2)</td></tr><tr><td class="tabledata" >C6</td><td class="tabledata" >0.0334 (17)</td><td class="tabledata" >0.060 (2)</td><td class="tabledata" >0.056 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0001 (15)</td><td class="tabledata" >0.0029 (15)</td><td class="tabledata" >0.0144 (17)</td></tr><tr><td class="tabledata" >C7</td><td class="tabledata" >0.0327 (18)</td><td class="tabledata" >0.065 (3)</td><td class="tabledata" >0.076 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0073 (17)</td><td class="tabledata" >0.0001 (17)</td><td class="tabledata" >0.019 (2)</td></tr><tr><td class="tabledata" >C8</td><td class="tabledata" >0.050 (2)</td><td class="tabledata" >0.058 (3)</td><td class="tabledata" >0.120 (4)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.010 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.003 (2)</td><td class="tabledata" >0.021 (3)</td></tr><tr><td class="tabledata" >C9</td><td class="tabledata" >0.054 (2)</td><td class="tabledata" >0.053 (3)</td><td class="tabledata" >0.134 (5)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.008 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.018 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.003 (3)</td></tr><tr><td class="tabledata" >C10</td><td class="tabledata" >0.077 (3)</td><td class="tabledata" >0.062 (3)</td><td class="tabledata" >0.115 (4)</td><td class="tabledata" >0.003 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.013 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.023 (3)</td></tr><tr><td class="tabledata" >C11</td><td class="tabledata" >0.077 (3)</td><td class="tabledata" >0.063 (3)</td><td class="tabledata" >0.132 (5)</td><td class="tabledata" >0.009 (3)</td><td class="tabledata" >0.000 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.032 (3)</td></tr><tr><td class="tabledata" >C12</td><td class="tabledata" >0.061 (3)</td><td class="tabledata" >0.060 (3)</td><td class="tabledata" >0.088 (3)</td><td class="tabledata" >0.022 (2)</td><td class="tabledata" >0.005 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.007 (2)</td></tr><tr><td class="tabledata" >C13</td><td class="tabledata" >0.046 (2)</td><td class="tabledata" >0.062 (3)</td><td class="tabledata" >0.068 (3)</td><td class="tabledata" >0.0165 (18)</td><td class="tabledata" >0.0005 (18)</td><td class="tabledata" >0.0042 (19)</td></tr><tr><td class="tabledata" >C14</td><td class="tabledata" >0.051 (2)</td><td class="tabledata" >0.080 (3)</td><td class="tabledata" >0.068 (3)</td><td class="tabledata" >0.030 (2)</td><td class="tabledata" >0.006 (2)</td><td class="tabledata" >0.005 (2)</td></tr><tr><td class="tabledata" >C15</td><td class="tabledata" >0.0349 (19)</td><td class="tabledata" >0.085 (3)</td><td class="tabledata" >0.068 (3)</td><td class="tabledata" >0.017 (2)</td><td class="tabledata" >0.0078 (18)</td><td class="tabledata" >0.013 (2)</td></tr><tr><td class="tabledata" >C16</td><td class="tabledata" >0.0341 (18)</td><td class="tabledata" >0.077 (3)</td><td class="tabledata" >0.063 (2)</td><td class="tabledata" >0.0057 (18)</td><td class="tabledata" >0.0001 (16)</td><td class="tabledata" >0.012 (2)</td></tr><tr><td class="tabledata" >C17</td><td class="tabledata" >0.0325 (17)</td><td class="tabledata" >0.077 (3)</td><td class="tabledata" >0.053 (2)</td><td class="tabledata" >0.0058 (17)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0008 (15)</td><td class="tabledata" >0.0065 (19)</td></tr><tr><td class="tabledata" >C18</td><td class="tabledata" >0.0350 (17)</td><td class="tabledata" >0.067 (2)</td><td class="tabledata" >0.054 (2)</td><td class="tabledata" >0.0120 (17)</td><td class="tabledata" >0.0006 (15)</td><td class="tabledata" >0.0077 (18)</td></tr><tr><td class="tabledata" >C19</td><td class="tabledata" >0.0350 (18)</td><td class="tabledata" >0.084 (3)</td><td class="tabledata" >0.053 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0041 (18)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0018 (16)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.001 (2)</td></tr><tr><td class="tabledata" >C20</td><td class="tabledata" >0.063 (3)</td><td class="tabledata" >0.131 (5)</td><td class="tabledata" >0.061 (3)</td><td class="tabledata" >0.010 (3)</td><td class="tabledata" >0.010 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.012 (3)</td></tr><tr><td class="tabledata" >C21</td><td class="tabledata" >0.048 (2)</td><td class="tabledata" >0.093 (3)</td><td class="tabledata" >0.071 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.005 (2)</td><td class="tabledata" >0.011 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.022 (2)</td></tr><tr><td class="tabledata" >C22</td><td class="tabledata" >0.0402 (19)</td><td class="tabledata" >0.068 (3)</td><td class="tabledata" >0.068 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0038 (18)</td><td class="tabledata" >0.0108 (18)</td><td class="tabledata" >0.001 (2)</td></tr><tr><td class="tabledata" >C23</td><td class="tabledata" >0.048 (2)</td><td class="tabledata" >0.051 (2)</td><td class="tabledata" >0.084 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0066 (17)</td><td class="tabledata" >0.015 (2)</td><td class="tabledata" >0.007 (2)</td></tr><tr><td class="tabledata" >C24</td><td class="tabledata" >0.045 (2)</td><td class="tabledata" >0.045 (2)</td><td class="tabledata" >0.065 (2)</td><td class="tabledata" >0.0000 (16)</td><td class="tabledata" >0.0040 (17)</td><td class="tabledata" >0.0054 (17)</td></tr><tr><td class="tabledata" >N7</td><td class="tabledata" >0.0444 (18)</td><td class="tabledata" >0.062 (2)</td><td class="tabledata" >0.065 (2)</td><td class="tabledata" >0.0023 (15)</td><td class="tabledata" >0.0068 (15)</td><td class="tabledata" >0.0017 (17)</td></tr><tr><td class="tabledata" >O3</td><td class="tabledata" >0.0598 (17)</td><td class="tabledata" >0.0610 (17)</td><td class="tabledata" >0.078 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0098 (15)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0092 (14)</td><td class="tabledata" >0.0052 (15)</td></tr><tr><td class="tabledata" >O4</td><td class="tabledata" >0.0374 (13)</td><td class="tabledata" >0.0713 (19)</td><td class="tabledata" >0.0721 (18)</td><td class="tabledata" >0.0014 (12)</td><td class="tabledata" >0.0036 (12)</td><td class="tabledata" >0.0033 (14)</td></tr><tr><td class="tabledata" >O5</td><td class="tabledata" >0.0617 (18)</td><td class="tabledata" >0.089 (2)</td><td class="tabledata" >0.088 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0007 (17)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.0002 (16)</td><td class="tabledata" >0.0328 (19)</td></tr><tr><td class="tabledata" >N8</td><td class="tabledata" >0.058 (2)</td><td class="tabledata" >0.149 (5)</td><td class="tabledata" >0.076 (3)</td><td class="tabledata" >0.031 (3)</td><td class="tabledata" >0.017 (2)</td><td class="tabledata" >0.045 (3)</td></tr><tr><td class="tabledata" >O6</td><td class="tabledata" >0.067 (2)</td><td class="tabledata" >0.087 (3)</td><td class="tabledata" >0.120 (3)</td><td class="tabledata" >0.0060 (19)</td><td class="tabledata" >0.000 (2)</td><td class="tabledata" >0.043 (2)</td></tr><tr><td class="tabledata" >O7</td><td class="tabledata" >0.0608 (19)</td><td class="tabledata" >0.105 (3)</td><td class="tabledata" >0.070 (2)</td><td class="tabledata" >0.0129 (19)</td><td class="tabledata" >0.0101 (15)</td><td class="tabledata" >0.015 (2)</td></tr><tr><td class="tabledata" >O8</td><td class="tabledata" >0.106 (3)</td><td class="tabledata" >0.104 (4)</td><td class="tabledata" >0.087 (3)</td><td class="tabledata" >0.011 (3)</td><td class="tabledata" >0.002 (2)</td><td class="tabledata" >0.020 (3)</td></tr><tr><td class="tabledata" >O8'</td><td class="tabledata" >0.106 (3)</td><td class="tabledata" >0.104 (4)</td><td class="tabledata" >0.087 (3)</td><td class="tabledata" >0.011 (3)</td><td class="tabledata" >0.002 (2)</td><td class="tabledata" >0.020 (3)</td></tr><tr><td class="tabledata" >N9</td><td class="tabledata" >0.074 (3)</td><td class="tabledata" >0.065 (2)</td><td class="tabledata" >0.089 (3)</td><td class="tabledata" >0.005 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.027 (2)</td><td class="tabledata" >0.016 (2)</td></tr><tr><td class="tabledata" >O9</td><td class="tabledata" >0.110 (3)</td><td class="tabledata" >0.139 (3)</td><td class="tabledata" >0.138 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.006 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.044 (3)</td><td class="tabledata" >0.035 (3)</td></tr><tr><td class="tabledata" >O10</td><td class="tabledata" >0.098 (3)</td><td class="tabledata" >0.094 (3)</td><td class="tabledata" >0.120 (4)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.015 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.017 (3)</td><td class="tabledata" >0.029 (3)</td></tr><tr><td class="tabledata" >O11</td><td class="tabledata" >0.100 (3)</td><td class="tabledata" >0.082 (3)</td><td class="tabledata" >0.103 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.002 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.026 (2)</td><td class="tabledata" >0.003 (2)</td></tr><tr><td class="tabledata" >O10'</td><td class="tabledata" >0.098 (3)</td><td class="tabledata" >0.094 (3)</td><td class="tabledata" >0.120 (4)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.015 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.017 (3)</td><td class="tabledata" >0.029 (3)</td></tr><tr><td class="tabledata" >O11'</td><td class="tabledata" >0.100 (3)</td><td class="tabledata" >0.082 (3)</td><td class="tabledata" >0.103 (3)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.002 (2)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.026 (2)</td><td class="tabledata" >0.003 (2)</td></tr><tr><td class="tabledata" >C1M</td><td class="tabledata" >0.218 (9)</td><td class="tabledata" >0.221 (9)</td><td class="tabledata" >0.222 (9)</td><td class="tabledata" >0.000</td><td class="tabledata" >0.009 (5)</td><td class="tabledata" >0.000</td></tr><tr><td class="tabledata" >O1M</td><td class="tabledata" >0.294 (12)</td><td class="tabledata" >0.290 (12)</td><td class="tabledata" >0.300 (12)</td><td class="tabledata" ><span style="font-family:Times">&#8722;</span>0.013 (5)</td><td class="tabledata" >0.001 (5)</td><td class="tabledata" >0.000 (5)</td></tr></table>
  254. </div>
  255. <!-- endtablewrapadpsdiv -->
  256. <div class="tablewrapgeomlong">
  257. <a name="geometricparameters1"></a> <span class="heading3">Geometric parameters (&#197;, &#176;)</span><!-- endheading3span --> <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan --><!-- startgeom --><table style="table-layout:fixed" width="100%" summary="" class="tabledata">
  258. <colgroup span="4">
  259. <col width="30%"></col>
  260. <col width="20%"></col>
  261. <col width="30%"></col>
  262. <col width="20%"></col>
  263. </colgroup>
  264. <tr><td width="30%" class="tabledata" >Eu1&#8212;O1</td><td width="20%" class="tabledata" >2.265&#160;(2)</td><td width="30%" class="tabledata" >C10&#8212;H10A</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >Eu1&#8212;O2</td><td width="20%" class="tabledata" >2.290&#160;(2)</td><td width="30%" class="tabledata" >C10&#8212;H10B</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >Eu1&#8212;O3</td><td width="20%" class="tabledata" >2.499&#160;(3)</td><td width="30%" class="tabledata" >C11&#8212;H11A</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >Eu1&#8212;O4</td><td width="20%" class="tabledata" >2.533&#160;(3)</td><td width="30%" class="tabledata" >C11&#8212;H11B</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >Eu1&#8212;O6</td><td width="20%" class="tabledata" >2.513&#160;(4)</td><td width="30%" class="tabledata" >C12&#8212;C13</td><td width="20%" class="tabledata" >1.444&#160;(6)</td></tr><tr><td width="30%" class="tabledata" >Eu1&#8212;O7</td><td width="20%" class="tabledata" >2.551&#160;(3)</td><td width="30%" class="tabledata" >C12&#8212;H12</td><td width="20%" class="tabledata" >0.930</td></tr><tr><td width="30%" class="tabledata" >Eu1&#8212;N1</td><td width="20%" class="tabledata" >2.559&#160;(3)</td><td width="30%" class="tabledata" >C13&#8212;C14</td><td width="20%" class="tabledata" >1.403&#160;(6)</td></tr><tr><td width="30%" class="tabledata" >Eu1&#8212;N2</td><td width="20%" class="tabledata" >2.549&#160;(4)</td><td width="30%" class="tabledata" >C13&#8212;C18</td><td width="20%" class="tabledata" >1.417&#160;(6)</td></tr><tr><td width="30%" class="tabledata" >Eu1&#8212;N3</td><td width="20%" class="tabledata" >2.566&#160;(4)</td><td width="30%" class="tabledata" >C14&#8212;C15</td><td width="20%" class="tabledata" >1.370&#160;(7)</td></tr><tr><td width="30%" class="tabledata" >Cl1&#8212;C4</td><td width="20%" class="tabledata" >1.742&#160;(4)</td><td width="30%" class="tabledata" >C14&#8212;H14</td><td width="20%" class="tabledata" >0.930</td></tr><tr><td width="30%" class="tabledata" >Cl2&#8212;C15</td><td width="20%" class="tabledata" >1.742&#160;(4)</td><td width="30%" class="tabledata" >C15&#8212;C16</td><td width="20%" class="tabledata" >1.371&#160;(6)</td></tr><tr><td width="30%" class="tabledata" >N1&#8212;C7</td><td width="20%" class="tabledata" >1.264&#160;(5)</td><td width="30%" class="tabledata" >C16&#8212;C17</td><td width="20%" class="tabledata" >1.387&#160;(5)</td></tr><tr><td width="30%" class="tabledata" >N1&#8212;C8</td><td width="20%" class="tabledata" >1.470&#160;(5)</td><td width="30%" class="tabledata" >C16&#8212;H16</td><td width="20%" class="tabledata" >0.930</td></tr><tr><td width="30%" class="tabledata" >N2&#8212;C10</td><td width="20%" class="tabledata" >1.452&#160;(7)</td><td width="30%" class="tabledata" >C17&#8212;C18</td><td width="20%" class="tabledata" >1.413&#160;(6)</td></tr><tr><td width="30%" class="tabledata" >N2&#8212;C9</td><td width="20%" class="tabledata" >1.485&#160;(5)</td><td width="30%" class="tabledata" >C17&#8212;C19</td><td width="20%" class="tabledata" >1.490&#160;(6)</td></tr><tr><td width="30%" class="tabledata" >N2&#8212;H2</td><td width="20%" class="tabledata" >0.910</td><td width="30%" class="tabledata" >C19&#8212;H19</td><td width="20%" class="tabledata" >0.980</td></tr><tr><td width="30%" class="tabledata" >N3&#8212;C12</td><td width="20%" class="tabledata" >1.282&#160;(6)</td><td width="30%" class="tabledata" >C20&#8212;C21</td><td width="20%" class="tabledata" >1.519&#160;(7)</td></tr><tr><td width="30%" class="tabledata" >N3&#8212;C11</td><td width="20%" class="tabledata" >1.480&#160;(6)</td><td width="30%" class="tabledata" >C20&#8212;H20A</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >N4&#8212;C22</td><td width="20%" class="tabledata" >1.448&#160;(5)</td><td width="30%" class="tabledata" >C20&#8212;H20B</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >N4&#8212;C19</td><td width="20%" class="tabledata" >1.459&#160;(5)</td><td width="30%" class="tabledata" >C21&#8212;H21A</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >N4&#8212;C21</td><td width="20%" class="tabledata" >1.465&#160;(5)</td><td width="30%" class="tabledata" >C21&#8212;H21B</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >N5&#8212;C20</td><td width="20%" class="tabledata" >1.489&#160;(6)</td><td width="30%" class="tabledata" >C22&#8212;C23</td><td width="20%" class="tabledata" >1.518&#160;(6)</td></tr><tr><td width="30%" class="tabledata" >N5&#8212;C19</td><td width="20%" class="tabledata" >1.501&#160;(5)</td><td width="30%" class="tabledata" >C22&#8212;H22A</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >N5&#8212;H5A</td><td width="20%" class="tabledata" >0.900</td><td width="30%" class="tabledata" >C22&#8212;H22B</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >N5&#8212;H5B</td><td width="20%" class="tabledata" >0.900</td><td width="30%" class="tabledata" >C23&#8212;H23A</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >N6&#8212;C24</td><td width="20%" class="tabledata" >1.286&#160;(5)</td><td width="30%" class="tabledata" >C23&#8212;H23B</td><td width="20%" class="tabledata" >0.970</td></tr><tr><td width="30%" class="tabledata" >N6&#8212;C23</td><td width="20%" class="tabledata" >1.459&#160;(5)</td><td width="30%" class="tabledata" >C24&#8212;H24</td><td width="20%" class="tabledata" >0.930</td></tr><tr><td width="30%" class="tabledata" >N6&#8212;H6</td><td width="20%" class="tabledata" >0.85&#160;(5)</td><td width="30%" class="tabledata" >N7&#8212;O5</td><td width="20%" class="tabledata" >1.209&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O1&#8212;C18</td><td width="20%" class="tabledata" >1.318&#160;(4)</td><td width="30%" class="tabledata" >N7&#8212;O4</td><td width="20%" class="tabledata" >1.267&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O2&#8212;C1</td><td width="20%" class="tabledata" >1.286&#160;(4)</td><td width="30%" class="tabledata" >N7&#8212;O3</td><td width="20%" class="tabledata" >1.269&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >C1&#8212;C2</td><td width="20%" class="tabledata" >1.414&#160;(5)</td><td width="30%" class="tabledata" >N8&#8212;O7</td><td width="20%" class="tabledata" >1.245&#160;(7)</td></tr><tr><td width="30%" class="tabledata" >C1&#8212;C6</td><td width="20%" class="tabledata" >1.433&#160;(5)</td><td width="30%" class="tabledata" >N8&#8212;O6</td><td width="20%" class="tabledata" >1.262&#160;(7)</td></tr><tr><td width="30%" class="tabledata" >C2&#8212;C3</td><td width="20%" class="tabledata" >1.401&#160;(5)</td><td width="30%" class="tabledata" >N8&#8212;O8'</td><td width="20%" class="tabledata" >1.265&#160;(7)</td></tr><tr><td width="30%" class="tabledata" >C2&#8212;C24</td><td width="20%" class="tabledata" >1.440&#160;(5)</td><td width="30%" class="tabledata" >N8&#8212;O8</td><td width="20%" class="tabledata" >1.273&#160;(6)</td></tr><tr><td width="30%" class="tabledata" >C3&#8212;C4</td><td width="20%" class="tabledata" >1.376&#160;(5)</td><td width="30%" class="tabledata" >N9&#8212;O9</td><td width="20%" class="tabledata" >1.206&#160;(5)</td></tr><tr><td width="30%" class="tabledata" >C3&#8212;H3</td><td width="20%" class="tabledata" >0.930</td><td width="30%" class="tabledata" >N9&#8212;O10</td><td width="20%" class="tabledata" >1.221&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >C4&#8212;C5</td><td width="20%" class="tabledata" >1.380&#160;(6)</td><td width="30%" class="tabledata" >N9&#8212;O11'</td><td width="20%" class="tabledata" >1.230&#160;(5)</td></tr><tr><td width="30%" class="tabledata" >C5&#8212;C6</td><td width="20%" class="tabledata" >1.385&#160;(5)</td><td width="30%" class="tabledata" >N9&#8212;O10'</td><td width="20%" class="tabledata" >1.233&#160;(5)</td></tr><tr><td width="30%" class="tabledata" >C5&#8212;H5</td><td width="20%" class="tabledata" >0.930</td><td width="30%" class="tabledata" >N9&#8212;O11</td><td width="20%" class="tabledata" >1.238&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >C6&#8212;C7</td><td width="20%" class="tabledata" >1.459&#160;(6)</td><td width="30%" class="tabledata" >C1M&#8212;O1M<sup>i</sup></td><td width="20%" class="tabledata" >1.351&#160;(10)</td></tr><tr><td width="30%" class="tabledata" >C7&#8212;H7</td><td width="20%" class="tabledata" >0.930</td><td width="30%" class="tabledata" >C1M&#8212;O1M</td><td width="20%" class="tabledata" >1.351&#160;(10)</td></tr><tr><td width="30%" class="tabledata" >C8&#8212;C9</td><td width="20%" class="tabledata" >1.499&#160;(7)</td><td width="30%" class="tabledata" >C1M&#8212;H1MA</td><td width="20%" class="tabledata" >0.960</td></tr><tr><td width="30%" class="tabledata" >C8&#8212;H8A</td><td width="20%" class="tabledata" >0.970</td><td width="30%" class="tabledata" >C1M&#8212;H1MB</td><td width="20%" class="tabledata" >0.960</td></tr><tr><td width="30%" class="tabledata" >C8&#8212;H8B</td><td width="20%" class="tabledata" >0.970</td><td width="30%" class="tabledata" >C1M&#8212;H1MC</td><td width="20%" class="tabledata" >0.960</td></tr><tr><td width="30%" class="tabledata" >C9&#8212;H9A</td><td width="20%" class="tabledata" >0.970</td><td width="30%" class="tabledata" >O1M&#8212;O1M<sup>i</sup></td><td width="20%" class="tabledata" >1.35&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >C9&#8212;H9B</td><td width="20%" class="tabledata" >0.970</td><td width="30%" class="tabledata" >O1M&#8212;H1WD</td><td width="20%" class="tabledata" >0.826</td></tr><tr><td width="30%" class="tabledata" >C10&#8212;C11</td><td width="20%" class="tabledata" >1.501&#160;(7)</td><td width="30%" class="tabledata" ></td><td width="20%" class="tabledata" ></td></tr><tr><td width="25%" class="tabledata" ></td><td width="25%" class="tabledata" ></td><td width="25%" class="tabledata" ></td><td width="25%" class="tabledata" ></td></tr><tr><td width="30%" class="tabledata" >O1&#8212;Eu1&#8212;O2</td><td width="20%" class="tabledata" >97.01&#160;(10)</td><td width="30%" class="tabledata" >C8&#8212;C9&#8212;H9B</td><td width="20%" class="tabledata" >109.7</td></tr><tr><td width="30%" class="tabledata" >O1&#8212;Eu1&#8212;O3</td><td width="20%" class="tabledata" >125.16&#160;(10)</td><td width="30%" class="tabledata" >H9A&#8212;C9&#8212;H9B</td><td width="20%" class="tabledata" >108.2</td></tr><tr><td width="30%" class="tabledata" >O2&#8212;Eu1&#8212;O3</td><td width="20%" class="tabledata" >74.57&#160;(10)</td><td width="30%" class="tabledata" >N2&#8212;C10&#8212;C11</td><td width="20%" class="tabledata" >110.4&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O1&#8212;Eu1&#8212;O6</td><td width="20%" class="tabledata" >80.42&#160;(11)</td><td width="30%" class="tabledata" >N2&#8212;C10&#8212;H10A</td><td width="20%" class="tabledata" >109.6</td></tr><tr><td width="30%" class="tabledata" >O2&#8212;Eu1&#8212;O6</td><td width="20%" class="tabledata" >121.17&#160;(14)</td><td width="30%" class="tabledata" >C11&#8212;C10&#8212;H10A</td><td width="20%" class="tabledata" >109.6</td></tr><tr><td width="30%" class="tabledata" >O3&#8212;Eu1&#8212;O6</td><td width="20%" class="tabledata" >150.28&#160;(13)</td><td width="30%" class="tabledata" >N2&#8212;C10&#8212;H10B</td><td width="20%" class="tabledata" >109.6</td></tr><tr><td width="30%" class="tabledata" >O1&#8212;Eu1&#8212;O4</td><td width="20%" class="tabledata" >75.31&#160;(9)</td><td width="30%" class="tabledata" >C11&#8212;C10&#8212;H10B</td><td width="20%" class="tabledata" >109.6</td></tr><tr><td width="30%" class="tabledata" >O2&#8212;Eu1&#8212;O4</td><td width="20%" class="tabledata" >69.04&#160;(9)</td><td width="30%" class="tabledata" >H10A&#8212;C10&#8212;H10B</td><td width="20%" class="tabledata" >108.1</td></tr><tr><td width="30%" class="tabledata" >O3&#8212;Eu1&#8212;O4</td><td width="20%" class="tabledata" >50.72&#160;(9)</td><td width="30%" class="tabledata" >N3&#8212;C11&#8212;C10</td><td width="20%" class="tabledata" >110.8&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O6&#8212;Eu1&#8212;O4</td><td width="20%" class="tabledata" >154.86&#160;(10)</td><td width="30%" class="tabledata" >N3&#8212;C11&#8212;H11A</td><td width="20%" class="tabledata" >109.5</td></tr><tr><td width="30%" class="tabledata" >O1&#8212;Eu1&#8212;N2</td><td width="20%" class="tabledata" >130.32&#160;(11)</td><td width="30%" class="tabledata" >C10&#8212;C11&#8212;H11A</td><td width="20%" class="tabledata" >109.5</td></tr><tr><td width="30%" class="tabledata" >O2&#8212;Eu1&#8212;N2</td><td width="20%" class="tabledata" >132.66&#160;(10)</td><td width="30%" class="tabledata" >N3&#8212;C11&#8212;H11B</td><td width="20%" class="tabledata" >109.5</td></tr><tr><td width="30%" class="tabledata" >O3&#8212;Eu1&#8212;N2</td><td width="20%" class="tabledata" >76.33&#160;(12)</td><td width="30%" class="tabledata" >C10&#8212;C11&#8212;H11B</td><td width="20%" class="tabledata" >109.5</td></tr><tr><td width="30%" class="tabledata" >O6&#8212;Eu1&#8212;N2</td><td width="20%" class="tabledata" >74.98&#160;(15)</td><td width="30%" class="tabledata" >H11A&#8212;C11&#8212;H11B</td><td width="20%" class="tabledata" >108.1</td></tr><tr><td width="30%" class="tabledata" >O4&#8212;Eu1&#8212;N2</td><td width="20%" class="tabledata" >116.53&#160;(12)</td><td width="30%" class="tabledata" >N3&#8212;C12&#8212;C13</td><td width="20%" class="tabledata" >128.0&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O1&#8212;Eu1&#8212;O7</td><td width="20%" class="tabledata" >70.82&#160;(10)</td><td width="30%" class="tabledata" >N3&#8212;C12&#8212;H12</td><td width="20%" class="tabledata" >116.0</td></tr><tr><td width="30%" class="tabledata" >O2&#8212;Eu1&#8212;O7</td><td width="20%" class="tabledata" >73.14&#160;(11)</td><td width="30%" class="tabledata" >C13&#8212;C12&#8212;H12</td><td width="20%" class="tabledata" >116.0</td></tr><tr><td width="30%" class="tabledata" >O3&#8212;Eu1&#8212;O7</td><td width="20%" class="tabledata" >145.58&#160;(11)</td><td width="30%" class="tabledata" >C14&#8212;C13&#8212;C18</td><td width="20%" class="tabledata" >119.2&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O6&#8212;Eu1&#8212;O7</td><td width="20%" class="tabledata" >50.30&#160;(14)</td><td width="30%" class="tabledata" >C14&#8212;C13&#8212;C12</td><td width="20%" class="tabledata" >117.6&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O4&#8212;Eu1&#8212;O7</td><td width="20%" class="tabledata" >124.64&#160;(11)</td><td width="30%" class="tabledata" >C18&#8212;C13&#8212;C12</td><td width="20%" class="tabledata" >123.2&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >N2&#8212;Eu1&#8212;O7</td><td width="20%" class="tabledata" >118.80&#160;(13)</td><td width="30%" class="tabledata" >C15&#8212;C14&#8212;C13</td><td width="20%" class="tabledata" >121.1&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O1&#8212;Eu1&#8212;N1</td><td width="20%" class="tabledata" >147.85&#160;(11)</td><td width="30%" class="tabledata" >C15&#8212;C14&#8212;H14</td><td width="20%" class="tabledata" >119.4</td></tr><tr><td width="30%" class="tabledata" >O2&#8212;Eu1&#8212;N1</td><td width="20%" class="tabledata" >71.36&#160;(9)</td><td width="30%" class="tabledata" >C13&#8212;C14&#8212;H14</td><td width="20%" class="tabledata" >119.4</td></tr><tr><td width="30%" class="tabledata" >O3&#8212;Eu1&#8212;N1</td><td width="20%" class="tabledata" >81.65&#160;(11)</td><td width="30%" class="tabledata" >C14&#8212;C15&#8212;C16</td><td width="20%" class="tabledata" >120.4&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O6&#8212;Eu1&#8212;N1</td><td width="20%" class="tabledata" >80.66&#160;(11)</td><td width="30%" class="tabledata" >C14&#8212;C15&#8212;Cl2</td><td width="20%" class="tabledata" >120.0&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O4&#8212;Eu1&#8212;N1</td><td width="20%" class="tabledata" >123.97&#160;(9)</td><td width="30%" class="tabledata" >C16&#8212;C15&#8212;Cl2</td><td width="20%" class="tabledata" >119.6&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >N2&#8212;Eu1&#8212;N1</td><td width="20%" class="tabledata" >68.09&#160;(12)</td><td width="30%" class="tabledata" >C15&#8212;C16&#8212;C17</td><td width="20%" class="tabledata" >120.3&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O7&#8212;Eu1&#8212;N1</td><td width="20%" class="tabledata" >77.08&#160;(11)</td><td width="30%" class="tabledata" >C15&#8212;C16&#8212;H16</td><td width="20%" class="tabledata" >119.8</td></tr><tr><td width="30%" class="tabledata" >O1&#8212;Eu1&#8212;N3</td><td width="20%" class="tabledata" >72.00&#160;(11)</td><td width="30%" class="tabledata" >C17&#8212;C16&#8212;H16</td><td width="20%" class="tabledata" >119.8</td></tr><tr><td width="30%" class="tabledata" >O2&#8212;Eu1&#8212;N3</td><td width="20%" class="tabledata" >145.13&#160;(11)</td><td width="30%" class="tabledata" >C16&#8212;C17&#8212;C18</td><td width="20%" class="tabledata" >120.8&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O3&#8212;Eu1&#8212;N3</td><td width="20%" class="tabledata" >84.94&#160;(11)</td><td width="30%" class="tabledata" >C16&#8212;C17&#8212;C19</td><td width="20%" class="tabledata" >118.9&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O6&#8212;Eu1&#8212;N3</td><td width="20%" class="tabledata" >90.28&#160;(14)</td><td width="30%" class="tabledata" >C18&#8212;C17&#8212;C19</td><td width="20%" class="tabledata" >120.2&#160;(3)</td></tr><tr><td width="30%" class="tabledata" >O4&#8212;Eu1&#8212;N3</td><td width="20%" class="tabledata" >76.13&#160;(11)</td><td width="30%" class="tabledata" >O1&#8212;C18&#8212;C17</td><td width="20%" class="tabledata" >119.2&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >N2&#8212;Eu1&#8212;N3</td><td width="20%" class="tabledata" >65.76&#160;(12)</td><td width="30%" class="tabledata" >O1&#8212;C18&#8212;C13</td><td width="20%" class="tabledata" >122.9&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >O7&#8212;Eu1&#8212;N3</td><td width="20%" class="tabledata" >129.10&#160;(12)</td><td width="30%" class="tabledata" >C17&#8212;C18&#8212;C13</td><td width="20%" class="tabledata" >117.9&#160;(3)</td></tr><tr><td width="30%" class="tabledata" >N1&#8212;Eu1&#8212;N3</td><td width="20%" class="tabledata" >133.76&#160;(11)</td><td width="30%" class="tabledata" >N4&#8212;C19&#8212;C17</td><td width="20%" class="tabledata" >116.0&#160;(3)</td></tr><tr><td width="30%" class="tabledata" >C7&#8212;N1&#8212;C8</td><td width="20%" class="tabledata" >117.1&#160;(3)</td><td width="30%" class="tabledata" >N4&#8212;C19&#8212;N5</td><td width="20%" class="tabledata" >98.1&#160;(3)</td></tr><tr><td width="30%" class="tabledata" >C7&#8212;N1&#8212;Eu1</td><td width="20%" class="tabledata" >131.1&#160;(3)</td><td width="30%" class="tabledata" >C17&#8212;C19&#8212;N5</td><td width="20%" class="tabledata" >113.3&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >C8&#8212;N1&#8212;Eu1</td><td width="20%" class="tabledata" >111.7&#160;(3)</td><td width="30%" class="tabledata" >N4&#8212;C19&#8212;H19</td><td width="20%" class="tabledata" >109.6</td></tr><tr><td width="30%" class="tabledata" >C10&#8212;N2&#8212;C9</td><td width="20%" class="tabledata" >114.4&#160;(4)</td><td width="30%" class="tabledata" >C17&#8212;C19&#8212;H19</td><td width="20%" class="tabledata" >109.6</td></tr><tr><td width="30%" class="tabledata" >C10&#8212;N2&#8212;Eu1</td><td width="20%" class="tabledata" >109.5&#160;(3)</td><td width="30%" class="tabledata" >N5&#8212;C19&#8212;H19</td><td width="20%" class="tabledata" >109.6</td></tr><tr><td width="30%" class="tabledata" >C9&#8212;N2&#8212;Eu1</td><td width="20%" class="tabledata" >112.3&#160;(3)</td><td width="30%" class="tabledata" >N5&#8212;C20&#8212;C21</td><td width="20%" class="tabledata" >104.2&#160;(3)</td></tr><tr><td width="30%" class="tabledata" >C10&#8212;N2&#8212;H2</td><td width="20%" class="tabledata" >106.7</td><td width="30%" class="tabledata" >N5&#8212;C20&#8212;H20A</td><td width="20%" class="tabledata" >110.9</td></tr><tr><td width="30%" class="tabledata" >C9&#8212;N2&#8212;H2</td><td width="20%" class="tabledata" >106.7</td><td width="30%" class="tabledata" >C21&#8212;C20&#8212;H20A</td><td width="20%" class="tabledata" >110.9</td></tr><tr><td width="30%" class="tabledata" >Eu1&#8212;N2&#8212;H2</td><td width="20%" class="tabledata" >106.7</td><td width="30%" class="tabledata" >N5&#8212;C20&#8212;H20B</td><td width="20%" class="tabledata" >110.9</td></tr><tr><td width="30%" class="tabledata" >C12&#8212;N3&#8212;C11</td><td width="20%" class="tabledata" >115.9&#160;(4)</td><td width="30%" class="tabledata" >C21&#8212;C20&#8212;H20B</td><td width="20%" class="tabledata" >110.9</td></tr><tr><td width="30%" class="tabledata" >C12&#8212;N3&#8212;Eu1</td><td width="20%" class="tabledata" >127.1&#160;(3)</td><td width="30%" class="tabledata" >H20A&#8212;C20&#8212;H20B</td><td width="20%" class="tabledata" >108.9</td></tr><tr><td width="30%" class="tabledata" >C11&#8212;N3&#8212;Eu1</td><td width="20%" class="tabledata" >116.8&#160;(3)</td><td width="30%" class="tabledata" >N4&#8212;C21&#8212;C20</td><td width="20%" class="tabledata" >102.0&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >C22&#8212;N4&#8212;C19</td><td width="20%" class="tabledata" >115.0&#160;(3)</td><td width="30%" class="tabledata" >N4&#8212;C21&#8212;H21A</td><td width="20%" class="tabledata" >111.4</td></tr><tr><td width="30%" class="tabledata" >C22&#8212;N4&#8212;C21</td><td width="20%" class="tabledata" >117.9&#160;(4)</td><td width="30%" class="tabledata" >C20&#8212;C21&#8212;H21A</td><td width="20%" class="tabledata" >111.4</td></tr><tr><td width="30%" class="tabledata" >C19&#8212;N4&#8212;C21</td><td width="20%" class="tabledata" >103.2&#160;(3)</td><td width="30%" class="tabledata" >N4&#8212;C21&#8212;H21B</td><td width="20%" class="tabledata" >111.4</td></tr><tr><td width="30%" class="tabledata" >C20&#8212;N5&#8212;C19</td><td width="20%" class="tabledata" >105.8&#160;(4)</td><td width="30%" class="tabledata" >C20&#8212;C21&#8212;H21B</td><td width="20%" class="tabledata" >111.4</td></tr><tr><td width="30%" class="tabledata" >C20&#8212;N5&#8212;H5A</td><td width="20%" class="tabledata" >110.6</td><td width="30%" class="tabledata" >H21A&#8212;C21&#8212;H21B</td><td width="20%" class="tabledata" >109.2</td></tr><tr><td width="30%" class="tabledata" >C19&#8212;N5&#8212;H5A</td><td width="20%" class="tabledata" >110.6</td><td width="30%" class="tabledata" >N4&#8212;C22&#8212;C23</td><td width="20%" class="tabledata" >112.2&#160;(3)</td></tr><tr><td width="30%" class="tabledata" >C20&#8212;N5&#8212;H5B</td><td width="20%" class="tabledata" >110.6</td><td width="30%" class="tabledata" >N4&#8212;C22&#8212;H22A</td><td width="20%" class="tabledata" >109.2</td></tr><tr><td width="30%" class="tabledata" >C19&#8212;N5&#8212;H5B</td><td width="20%" class="tabledata" >110.6</td><td width="30%" class="tabledata" >C23&#8212;C22&#8212;H22A</td><td width="20%" class="tabledata" >109.2</td></tr><tr><td width="30%" class="tabledata" >H5A&#8212;N5&#8212;H5B</td><td width="20%" class="tabledata" >108.7</td><td width="30%" class="tabledata" >N4&#8212;C22&#8212;H22B</td><td width="20%" class="tabledata" >109.2</td></tr><tr><td width="30%" class="tabledata" >C24&#8212;N6&#8212;C23</td><td width="20%" class="tabledata" >124.6&#160;(4)</td><td width="30%" class="tabledata" >C23&#8212;C22&#8212;H22B</td><td width="20%" class="tabledata" >109.2</td></tr><tr><td width="30%" class="tabledata" >C24&#8212;N6&#8212;H6</td><td width="20%" class="tabledata" >114&#160;(3)</td><td width="30%" class="tabledata" >H22A&#8212;C22&#8212;H22B</td><td width="20%" class="tabledata" >107.9</td></tr><tr><td width="30%" class="tabledata" >C23&#8212;N6&#8212;H6</td><td width="20%" class="tabledata" >121&#160;(3)</td><td width="30%" class="tabledata" >N6&#8212;C23&#8212;C22</td><td width="20%" class="tabledata" >110.9&#160;(3)</td></tr><tr><td width="30%" class="tabledata" >C18&#8212;O1&#8212;Eu1</td><td width="20%" class="tabledata" >134.9&#160;(2)</td><td width="30%" class="tabledata" >N6&#8212;C23&#8212;H23A</td><td width="20%" class="tabledata" >109.5</td></tr><tr><td width="30%" class="tabledata" >C1&#8212;O2&#8212;Eu1</td><td width="20%" class="tabledata" >144.0&#160;(2)</td><td width="30%" class="tabledata" >C22&#8212;C23&#8212;H23A</td><td width="20%" class="tabledata" >109.5</td></tr><tr><td width="30%" class="tabledata" >O2&#8212;C1&#8212;C2</td><td width="20%" class="tabledata" >119.7&#160;(3)</td><td width="30%" class="tabledata" >N6&#8212;C23&#8212;H23B</td><td width="20%" class="tabledata" >109.5</td></tr><tr><td width="30%" class="tabledata" >O2&#8212;C1&#8212;C6</td><td width="20%" class="tabledata" >122.6&#160;(3)</td><td width="30%" class="tabledata" >C22&#8212;C23&#8212;H23B</td><td width="20%" class="tabledata" >109.5</td></tr><tr><td width="30%" class="tabledata" >C2&#8212;C1&#8212;C6</td><td width="20%" class="tabledata" >117.7&#160;(3)</td><td width="30%" class="tabledata" >H23A&#8212;C23&#8212;H23B</td><td width="20%" class="tabledata" >108.0</td></tr><tr><td width="30%" class="tabledata" >C3&#8212;C2&#8212;C1</td><td width="20%" class="tabledata" >121.3&#160;(3)</td><td width="30%" class="tabledata" >N6&#8212;C24&#8212;C2</td><td width="20%" class="tabledata" >124.6&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >C3&#8212;C2&#8212;C24</td><td width="20%" class="tabledata" >117.3&#160;(3)</td><td width="30%" class="tabledata" >N6&#8212;C24&#8212;H24</td><td width="20%" class="tabledata" >117.7</td></tr><tr><td width="30%" class="tabledata" >C1&#8212;C2&#8212;C24</td><td width="20%" class="tabledata" >121.4&#160;(3)</td><td width="30%" class="tabledata" >C2&#8212;C24&#8212;H24</td><td width="20%" class="tabledata" >117.7</td></tr><tr><td width="30%" class="tabledata" >C4&#8212;C3&#8212;C2</td><td width="20%" class="tabledata" >119.3&#160;(4)</td><td width="30%" class="tabledata" >O5&#8212;N7&#8212;O4</td><td width="20%" class="tabledata" >121.6&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >C4&#8212;C3&#8212;H3</td><td width="20%" class="tabledata" >120.3</td><td width="30%" class="tabledata" >O5&#8212;N7&#8212;O3</td><td width="20%" class="tabledata" >121.9&#160;(3)</td></tr><tr><td width="30%" class="tabledata" >C2&#8212;C3&#8212;H3</td><td width="20%" class="tabledata" >120.3</td><td width="30%" class="tabledata" >O4&#8212;N7&#8212;O3</td><td width="20%" class="tabledata" >116.4&#160;(3)</td></tr><tr><td width="30%" class="tabledata" >C3&#8212;C4&#8212;C5</td><td width="20%" class="tabledata" >120.8&#160;(4)</td><td width="30%" class="tabledata" >N7&#8212;O3&#8212;Eu1</td><td width="20%" class="tabledata" >94.9&#160;(2)</td></tr><tr><td width="30%" class="tabledata" >C3&#8212;C4&#8212;Cl1</td><td width="20%" class="tabledata" >119.3&#160;(3)</td><td width="30%" class="tabledata" >N7&#8212;O4&#8212;Eu1</td><td width="20%" class="tabledata" >93.4&#160;(2)</td></tr><tr><td width="30%" class="tabledata" >C5&#8212;C4&#8212;Cl1</td><td width="20%" class="tabledata" >119.9&#160;(3)</td><td width="30%" class="tabledata" >O7&#8212;N8&#8212;O6</td><td width="20%" class="tabledata" >118.3&#160;(4)</td></tr><tr><td width="30%" class="tabledata" >C4&#8212;C5&#8212;C6</td><td width="20%" class="tabledata" >121.5&#160;(4)</td><td width="30%" class="tabledata" >O7&#8212;N8&#8212;O8'</td><td width="20%" class="tabledata" >136.8&#160;(8)</td></tr><tr><td width="30%" class="tabledata" >C4&#8212;C5&#8212;H5</td><td width="20%" class="tabledata" >119.2</td><td width="30%" class="tabledata" >O6&#8212;N8&#8212;O8'</td><td width="20%" class="tabledata" >102.5&#160;(9)</td></tr><tr><td width="30%" class="tabledata" >C6&#8212;C5&#8212;H5</td><td width="20%" class="tabledata" >119.2</td><td width="30%" class="tabledata" >O7&#8212;N8&#8212;O8</td><td width="20%" class="tabledata" >109.3&#160;(8)</td></tr><tr><td width="30%" class="tabledata" >C5&#8212;C6&#8212;C1</td><td width="20%" class="tabledata" >119.3&#160;(4)</td><td width="30%" class="tabledata" >O6&#8212;N8&#8212;O8</td><td width="20%" class="tabledata" >131.8&#160;(7)</td></tr><tr><td width="30%" class="tabledata" >C5&#8212;C6&#8212;C7</td><td width="20%" class="tabledata" >117.7&#160;(3)</td><td width="30%" class="tabledata" >N8&#8212;O6&#8212;Eu1</td><td width="20%" class="tabledata" >96.0&#160;(3)</td></tr><tr><td width="30%" class="tabledata" >C1&#8212;C6&#8212;C7</td><td width="20%" class="tabledata" >123.0&#160;(3)</td><td width="30%" class="tabledata" >N8&#8212;O7&#8212;Eu1</td><td width="20%" class="tabledata" >94.6&#160;(3)</td></tr><tr><td width="30%" class="tabledata" >N1&#8212;C7&#8212;C6</td><td width="20%" class="tabledata" >127.6&#160;(3)</td><td width="30%" class="tabledata" >O9&#8212;N9&#8212;O10</td><td width="20%" class="tabledata" >121.4&#160;(5)</td></tr><tr><td width="30%" class="tabledata" >N1&#8212;C7&#8212;H7</td><td width="20%" class="tabledata" >116.2</td><td width="30%" class="tabledata" >O9&#8212;N9&#8212;O11'</td><td width="20%" class="tabledata" >123.3&#160;(8)</td></tr><tr><td width="30%" class="tabledata" >C6&#8212;C7&#8212;H7</td><td width="20%" class="tabledata" >116.2</td><td width="30%" class="tabledata" >O9&#8212;N9&#8212;O10'</td><td width="20%" class="tabledata" >117.6&#160;(10)</td></tr><tr><td width="30%" class="tabledata" >N1&#8212;C8&#8212;C9</td><td width="20%" class="tabledata" >109.0&#160;(4)</td><td width="30%" class="tabledata" >O11'&#8212;N9&#8212;O10'</td><td width="20%" class="tabledata" >116.6&#160;(11)</td></tr><tr><td width="30%" class="tabledata" >N1&#8212;C8&#8212;H8A</td><td width="20%" class="tabledata" >109.9</td><td width="30%" class="tabledata" >O9&#8212;N9&#8212;O11</td><td width="20%" class="tabledata" >119.9&#160;(5)</td></tr><tr><td width="30%" class="tabledata" >C9&#8212;C8&#8212;H8A</td><td width="20%" class="tabledata" >109.9</td><td width="30%" class="tabledata" >O10&#8212;N9&#8212;O11</td><td width="20%" class="tabledata" >118.4&#160;(5)</td></tr><tr><td width="30%" class="tabledata" >N1&#8212;C8&#8212;H8B</td><td width="20%" class="tabledata" >109.9</td><td width="30%" class="tabledata" >O1M&#8212;C1M&#8212;H1MA</td><td width="20%" class="tabledata" >110.4</td></tr><tr><td width="30%" class="tabledata" >C9&#8212;C8&#8212;H8B</td><td width="20%" class="tabledata" >109.9</td><td width="30%" class="tabledata" >O1M&#8212;C1M&#8212;H1MB</td><td width="20%" class="tabledata" >111.7</td></tr><tr><td width="30%" class="tabledata" >H8A&#8212;C8&#8212;H8B</td><td width="20%" class="tabledata" >108.3</td><td width="30%" class="tabledata" >H1MA&#8212;C1M&#8212;H1MB</td><td width="20%" class="tabledata" >109.5</td></tr><tr><td width="30%" class="tabledata" >N2&#8212;C9&#8212;C8</td><td width="20%" class="tabledata" >109.6&#160;(4)</td><td width="30%" class="tabledata" >O1M&#8212;C1M&#8212;H1MC</td><td width="20%" class="tabledata" >106.3</td></tr><tr><td width="30%" class="tabledata" >N2&#8212;C9&#8212;H9A</td><td width="20%" class="tabledata" >109.7</td><td width="30%" class="tabledata" >H1MA&#8212;C1M&#8212;H1MC</td><td width="20%" class="tabledata" >109.5</td></tr><tr><td width="30%" class="tabledata" >C8&#8212;C9&#8212;H9A</td><td width="20%" class="tabledata" >109.7</td><td width="30%" class="tabledata" >H1MB&#8212;C1M&#8212;H1MC</td><td width="20%" class="tabledata" >109.5</td></tr><tr><td width="30%" class="tabledata" >N2&#8212;C9&#8212;H9B</td><td width="20%" class="tabledata" >109.7</td><td width="30%" class="tabledata" ></td><td width="20%" class="tabledata" ></td></tr></table><table style="table-layout:fixed" width="100%" class="noborder"><tr><td class="tabledata" >Symmetry codes: (i) &#8722;<i>x</i>+1, <i>y</i>, &#8722;<i>z</i>+1/2.</td></tr></table>
  265. </div>
  266. <!-- endtablewrapgeomlongdiv --><!-- endcoord --><!-- endadp --><!-- startgeom --><!-- endgeom -->
  267. </div>
  268. <!-- enddatablockdiv --><a name="extratables"></a>
  269. <div class="acknowledgements">
  270. <a name="acknowledgements"></a>
  271. <div class="heading2">
  272. Acknowledgements <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
  273. </div>
  274. <!-- endheading2div --><p>This work is supported by the Natural Science Foundation of Hubei Province (No.
  275. 2008CDB094).</p>
  276. </div>
  277. <!-- endacknowledgementsdiv -->
  278. <div class="references">
  279. <a name="references"></a><a class="buttons" title="link to reference list" href="./bi2359bdy.html#References">references</a>
  280. </div>
  281. <!-- endreferencesdiv -->
  282. <div class="publreferences">
  283. <a name="publreferences"></a>
  284. <div class="heading2">
  285. References <span class="toplink"><a class="buttons" href="#top">top</a></span><!-- endtoplinkspan -->
  286. </div>
  287. <!-- endheading2div --><p>Alexander, V. (1995). <i>Chem. Rev.</i> <b>95</b>, 273&#8211;342.<br /><br />Bruker (2000). <i>SMART</i>, <i>SAINT and <i>SADABS</i></i>. Bruker AXS Inc., Madison, Wisconsin, USA.<br /><br />Bunzli, J.-C. G. &amp; Piguet, C. (2002). <i>Chem. Rev.</i> <b>102</b>, 1897&#8211;1928.<br /><br />Hu, X.-L., Chen, Z., Qiu, L. &amp; Pan, Z.-Q. (2007). <i>Acta Cryst.</i> E<b>63</b>, m1668&#8211;m1669.<br /><br />Hu, X.-L., Qiu, L., Yuan, J. &amp; Pan, Z.-Q. (2007). <i>Acta Cryst.</i> E<b>63</b>, m1438.<br /><br />Hu, X.-L., Qiu, L., Zhao, Y.-D. &amp; Pan, Z.-Q. (2007). <i>Chin. J. Struct. Chem.</i> <b>26</b>, 1429&#8211;1434.<br /><br />Sheldrick, G. M. (2008). <i>Acta Cryst.</i> A<b>64</b>, 112&#8211;122.<br /><br /></p>
  288. </div>
  289. <!-- endpublreferencesdiv -->
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