(η6-Benzophenone)(η5-pentamethylcyclopentadienyl)ruthenium(II) tetraphenylborate
Identifieur interne : 002221 ( Pmc/Corpus ); précédent : 002220; suivant : 002222(η6-Benzophenone)(η5-pentamethylcyclopentadienyl)ruthenium(II) tetraphenylborate
Auteurs : Bradley T. Loughrey ; Kevin Nadin ; Michael L. Williams ; Peter C. HealySource :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2009.
Abstract
The structure of the title compound, [Ru(C10H15)(C13H10O)](C24H20B), consists of discrete [Cp*Ru(II)benzophenone] cations and tetraphenylborate anions (Cp* = pentamethylcyclopentadienyl). Tethering the Cp*Ru group to one aryl ring of benzophenone results in average values of 1.42 (1) and 1.38 (1) Å for the C—C bond lengths in the Ru-tethered and untethered phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings of the benzophenone group is 50.5 (1)°.
Url:
DOI: 10.1107/S1600536809042731
PubMed: 21578208
PubMed Central: 2971317
Links to Exploration step
PMC:2971317Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">(η<sup>6</sup>-Benzophenone)(η<sup>5</sup>-pentamethylcyclopentadienyl)ruthenium(II) tetraphenylborate</title><author><name sortKey="Loughrey, Bradley T" sort="Loughrey, Bradley T" uniqKey="Loughrey B" first="Bradley T." last="Loughrey">Bradley T. Loughrey</name><affiliation><nlm:aff id="a">Eskitis Institute for Cell and Molecular Therapies, Griffith University, Brisbane 4111,<country>Australia</country></nlm:aff></affiliation></author><author><name sortKey="Nadin, Kevin" sort="Nadin, Kevin" uniqKey="Nadin K" first="Kevin" last="Nadin">Kevin Nadin</name><affiliation><nlm:aff id="b">Département de Chimie, Faculté des Sciences, Université d’Orléans, Orléans BP 6759 45067,<country>France</country></nlm:aff></affiliation></author><author><name sortKey="Williams, Michael L" sort="Williams, Michael L" uniqKey="Williams M" first="Michael L." last="Williams">Michael L. Williams</name><affiliation><nlm:aff id="a">Eskitis Institute for Cell and Molecular Therapies, Griffith University, Brisbane 4111,<country>Australia</country></nlm:aff></affiliation></author><author><name sortKey="Healy, Peter C" sort="Healy, Peter C" uniqKey="Healy P" first="Peter C." last="Healy">Peter C. Healy</name><affiliation><nlm:aff id="a">Eskitis Institute for Cell and Molecular Therapies, Griffith University, Brisbane 4111,<country>Australia</country></nlm:aff></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">21578208</idno><idno type="pmc">2971317</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971317</idno><idno type="RBID">PMC:2971317</idno><idno type="doi">10.1107/S1600536809042731</idno><date when="2009">2009</date><idno type="wicri:Area/Pmc/Corpus">002221</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">002221</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">(η<sup>6</sup>-Benzophenone)(η<sup>5</sup>-pentamethylcyclopentadienyl)ruthenium(II) tetraphenylborate</title><author><name sortKey="Loughrey, Bradley T" sort="Loughrey, Bradley T" uniqKey="Loughrey B" first="Bradley T." last="Loughrey">Bradley T. Loughrey</name><affiliation><nlm:aff id="a">Eskitis Institute for Cell and Molecular Therapies, Griffith University, Brisbane 4111,<country>Australia</country></nlm:aff></affiliation></author><author><name sortKey="Nadin, Kevin" sort="Nadin, Kevin" uniqKey="Nadin K" first="Kevin" last="Nadin">Kevin Nadin</name><affiliation><nlm:aff id="b">Département de Chimie, Faculté des Sciences, Université d’Orléans, Orléans BP 6759 45067,<country>France</country></nlm:aff></affiliation></author><author><name sortKey="Williams, Michael L" sort="Williams, Michael L" uniqKey="Williams M" first="Michael L." last="Williams">Michael L. Williams</name><affiliation><nlm:aff id="a">Eskitis Institute for Cell and Molecular Therapies, Griffith University, Brisbane 4111,<country>Australia</country></nlm:aff></affiliation></author><author><name sortKey="Healy, Peter C" sort="Healy, Peter C" uniqKey="Healy P" first="Peter C." last="Healy">Peter C. Healy</name><affiliation><nlm:aff id="a">Eskitis Institute for Cell and Molecular Therapies, Griffith University, Brisbane 4111,<country>Australia</country></nlm:aff></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2009">2009</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>The structure of the title compound, [Ru(C<sub>10</sub>H<sub>15</sub>)(C<sub>13</sub>H<sub>10</sub>O)](C<sub>24</sub>H<sub>20</sub>B), consists of discrete [Cp*Ru(II)benzophenone] cations and tetraphenylborate anions (Cp* = pentamethylcyclopentadienyl). Tethering the Cp*Ru group to one aryl ring of benzophenone results in average values of 1.42 (1) and 1.38 (1) Å for the C—C bond lengths in the Ru-tethered and untethered phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings of the benzophenone group is 50.5 (1)°.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct></listBibl></div1></back></TEI><pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
<front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr Sect E Struct Rep Online</journal-id><journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id><journal-title-group><journal-title>Acta Crystallographica Section E: Structure Reports Online</journal-title></journal-title-group><issn pub-type="epub">1600-5368</issn><publisher><publisher-name>International Union of Crystallography</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="pmid">21578208</article-id><article-id pub-id-type="pmc">2971317</article-id><article-id pub-id-type="publisher-id">lh2927</article-id><article-id pub-id-type="doi">10.1107/S1600536809042731</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536809042731</article-id><article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject></subj-group></article-categories><title-group><article-title>(η<sup>6</sup>-Benzophenone)(η<sup>5</sup>-pentamethylcyclopentadienyl)ruthenium(II) tetraphenylborate</article-title><alt-title><italic>[Ru(C<sub>10</sub>H<sub>15</sub>)(C<sub>13</sub>H<sub>10</sub>O)](C<sub>24</sub>H<sub>20</sub>B)</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Loughrey</surname><given-names>Bradley T.</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Nadin</surname><given-names>Kevin</given-names></name><xref ref-type="aff" rid="b">b</xref></contrib><contrib contrib-type="author"><name><surname>Williams</surname><given-names>Michael L.</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Healy</surname><given-names>Peter C.</given-names></name><xref ref-type="aff" rid="a">a</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><aff id="a"><label>a</label>Eskitis Institute for Cell and Molecular Therapies, Griffith University, Brisbane 4111,<country>Australia</country></aff><aff id="b"><label>b</label>Département de Chimie, Faculté des Sciences, Université d’Orléans, Orléans BP 6759 45067,<country>France</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>P.Healy@griffith.edu.au</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>11</month><year>2009</year></pub-date><pub-date pub-type="epub"><day>31</day><month>10</month><year>2009</year></pub-date><pub-date pub-type="pmc-release"><day>31</day><month>10</month><year>2009</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>65</volume><issue>Pt 11</issue><issue-id pub-id-type="publisher-id">e091100</issue-id><fpage>m1486</fpage><lpage>m1486</lpage><history><date date-type="received"><day>13</day><month>10</month><year>2009</year></date><date date-type="accepted"><day>17</day><month>10</month><year>2009</year></date></history><permissions><copyright-statement>© Loughrey et al. 2009</copyright-statement><copyright-year>2009</copyright-year><license license-type="open-access" xlink:href="http://creativecommons.org/licenses/by/2.0/uk/"><license-p>This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.</license-p></license></permissions><self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536809042731">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>The structure of the title compound, [Ru(C<sub>10</sub>H<sub>15</sub>)(C<sub>13</sub>H<sub>10</sub>O)](C<sub>24</sub>H<sub>20</sub>B), consists of discrete [Cp*Ru(II)benzophenone] cations and tetraphenylborate anions (Cp* = pentamethylcyclopentadienyl). Tethering the Cp*Ru group to one aryl ring of benzophenone results in average values of 1.42 (1) and 1.38 (1) Å for the C—C bond lengths in the Ru-tethered and untethered phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings of the benzophenone group is 50.5 (1)°.</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature</title><p>For background to our research into the structural and biological properties of ionic Ru(II) organometallic complex salts [Cp*Ru(II)-arene]<sup>+</sup><italic>X</italic><sup>−</sup>, see: Loughrey <italic>et al.</italic> (2008<xref ref-type="bibr" rid="bb4"> ▶</xref>, 2009<xref ref-type="bibr" rid="bb5"> ▶</xref>); For related structures, see: Moncol & Coppens (2004<xref ref-type="bibr" rid="bb6"> ▶</xref>); Gemel <italic>et al.</italic> (1996<xref ref-type="bibr" rid="bb3"> ▶</xref>).<chem-struct id="scheme1"><graphic xlink:href="e-65-m1486-scheme1.jpg" position="float"></graphic></chem-struct></p></sec><sec sec-type="" id="sec2"><title>Experimental</title><sec id="sec2.1"><title></title><sec id="sec2.1.1"><title>Crystal data</title><p><list list-type="simple"><list-item><p>[Ru(C<sub>10</sub>H<sub>15</sub>)(C<sub>13</sub>H<sub>10</sub>O)](C<sub>24</sub>H<sub>20</sub>B)</p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 737.71</p></list-item><list-item><p>Monoclinic, <inline-formula><inline-graphic xlink:href="e-65-m1486-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 11.6754 (8) Å</p></list-item><list-item><p><italic>b</italic> = 20.5730 (12) Å</p></list-item><list-item><p><italic>c</italic> = 15.6245 (9) Å</p></list-item><list-item><p>β = 91.250 (6)°</p></list-item><list-item><p><italic>V</italic> = 3752.1 (4) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 4</p></list-item><list-item><p>Mo <italic>K</italic>α radiation</p></list-item><list-item><p>μ = 0.45 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 296 K</p></list-item><list-item><p>0.30 × 0.27 × 0.13 mm</p></list-item></list></p></sec><sec id="sec2.1.2"><title>Data collection</title><p><list list-type="simple"><list-item><p>Oxford-Diffraction GEMINI S Ultra diffractometer</p></list-item><list-item><p>Absorption correction: multi-scan (<italic>CrysAlis RED</italic>; Oxford Diffraction, 2007<xref ref-type="bibr" rid="bb7"> ▶</xref>) <italic>T</italic><sub>min</sub> = 0.876, <italic>T</italic><sub>max</sub> = 0.943</p></list-item><list-item><p>34346 measured reflections</p></list-item><list-item><p>8604 independent reflections</p></list-item><list-item><p>6521 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.045</p></list-item></list></p></sec><sec id="sec2.1.3"><title>Refinement</title><p><list list-type="simple"><list-item><p><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.038</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.110</p></list-item><list-item><p><italic>S</italic> = 1.02</p></list-item><list-item><p>8604 reflections</p></list-item><list-item><p>451 parameters</p></list-item><list-item><p>H-atom parameters constrained</p></list-item><list-item><p>Δρ<sub>max</sub> = 1.01 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −0.31 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e381"><title></title><p>Data collection: <italic>CrysAlis CCD</italic> (Oxford Diffraction, 2007<xref ref-type="bibr" rid="bb7"> ▶</xref>); cell refinement: <italic>CrysAlis RED</italic> (Oxford Diffraction, 2007<xref ref-type="bibr" rid="bb7"> ▶</xref>); data reduction: <italic>CrysAlis RED</italic>; program(s) used to solve structure: <italic>SIR97</italic> (Altomare <italic>et al.</italic>, 1999<xref ref-type="bibr" rid="bb1"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb8"> ▶</xref>); molecular graphics: <italic>ORTEP-3 for Windows</italic> (Farrugia, 1997<xref ref-type="bibr" rid="bb2"> ▶</xref>); software used to prepare material for publication: <italic>PLATON</italic> (Spek, 2009<xref ref-type="bibr" rid="bb9"> ▶</xref>).</p></sec></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="local-data" xlink:href="e-65-m1486-sup1.cif" position="float" xlink:type="simple"><p>Crystal structure: contains datablocks global, I. DOI: <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536809042731/lh2927sup1.cif">10.1107/S1600536809042731/lh2927sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-65-m1486-sup1.cif" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material content-type="local-data" xlink:href="e-65-m1486-Isup2.hkl" position="float" xlink:type="simple"><p>Structure factors: contains datablocks I. DOI: <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536809042731/lh2927Isup2.hkl">10.1107/S1600536809042731/lh2927Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-65-m1486-Isup2.hkl" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material position="float" xlink:type="simple"><p>Additional supplementary materials: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsupfiles?lh2927&file=lh2927sup0.html&mime=text/html" xlink:type="simple"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?lh2927sup1&Qmime=cif" xlink:type="simple">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?lh2927&checkcif=yes" xlink:type="simple">checkCIF report</ext-link></p></supplementary-material></sec></body><back><fn-group><fn id="fnu1"><p>Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsup?lh2927">LH2927</ext-link>).</p></fn></fn-group><ack><p>We acknowledge support of this work by Griffith University, the Queensland University of Technology, the Université d’Orléans and the Eskitis Institute for Cell and Molecular Therapies. We thank Dr Laurent Bornaghi and Dr Chris Brown for their help and support in this project.</p></ack><app-group><app><title>supplementary crystallographic
information</title><sec id="comment"><title>Comment </title><p>As part of our continued investigation into the structural
and biological properties of ionic Ru(II) organometallic
complex salts [Cp*Ru(II)-arene]<sup>+</sup>X<sup>-</sup> (Loughrey <italic>et al.</italic>, 2008,
2009),
we have prepared the mono substituted adduct of Cp*Ru and benzophenone
as the tetraphenylborate salt. The compound was prepared in 49% yield
through the reaction of RuCl<sub>3</sub>.xH<sub>2</sub>O with an excess of benzophenone
and HCp* in ethanol and isolated as the crystalline tetraphenylborate salt
through addition of an aqueous solution of NaBPh<sub>4</sub>.</p><p>The compound crystallizes as discrete cations and anions (Fig. 1). No
significant C-H···O interactions are observed between the phenyl and
methyl protons and the ketone oxygen. The dihedral angle between the
two aryl rings of the benzophenone is 50.5 (1)° and comparable to the
value of 53.75 (6)° reported for the parent monoclinic benzophenone
(Moncol & Coppens, 2004). The Ru-C bond lengths in the cation are also
similar to those reported for other [Cp*Ru(arene)]<sup>+</sup> complexes
(Gemel <italic>et al.</italic>, 1996; Loughrey <italic>et al.</italic>, 2008).
The average value of 1.42 (1)Å
for the C-C bond lengths in the Ru tethered phenyl ring (C11-C16) is 0.04Å
longer than the average value of 1.38 (1)Å observed for the free phenyl
ring (C18-C23), the latter being marginally shorter than the value of
1.392 (5)Å for the parent benzophenone.</p></sec><sec id="experimental"><title>Experimental </title><p>Benzophenone (0.8 g, 4.39 mmol) and HCp* (0.3 ml, 1.88 mmol) were added to a
solution of ruthenium trichloride hydrate (0.20 g, 0.76 mmol) in ethanol (20 ml) under argon. The resulting solution was heated under reflux conditions for
a period of 10 h to yield a golden brown coloured solution. The solvent was
concentrated <italic>in vacuo</italic> with the remaining residue being redissolved in
an ether/water partition (20 ml/20 ml). The aqueous portion was retained and
washed with a further three aliquots of diethyl ether (20 ml). The aqueous
layer was mixed slowly with an aqueous solution of sodium tetraphenylborate (5 ml, 0.30 <italic>M</italic>). The resulting cream coloured precipitate was filtered from
solution and redissolved in a minimum quantity of acetone. This solution was
filtered through a short alumina column (neutral, 150 mesh) using acetone as
the eluent. The solution was concentrated <italic>in vacuo</italic> and the product
recrystallized through addition of a minimum quantity of cold water. The
resulting crystalline precipitate was then filtered from solution and dried
<italic>in vacuo</italic>. Yield = 0.273 g, 48.7%. Crystals suitable for X-ray
diffraction studies were grown by slow diffusion of diethyl ether into a
solution of the compound in acetone.</p><p>NMR: <sup>1</sup>H (d<sub>6</sub>DMSO), δ 1.81 (s, 15H, C<sub>5</sub>(C<sub>5</sub>H<sub>15</sub>)), 6.07–6.11 (m, 3H,
C<sub>6</sub>H<sub>5</sub><italic>meta</italic> and <italic>para</italic>), 6.30–6.31 (m, 2H, C<sub>6</sub>H<sub>5</sub><italic>ortho</italic>), 6.72–6.75 (m, 4H, B(C<sub>6</sub>H<sub>5</sub>)<sub>4</sub><italic>para</italic>), 6.85–6.89 (m,
8H, B(C<sub>6</sub>H<sub>5</sub>)<sub>4</sub><italic>meta</italic>), 7.15–7.18 (m, 8H, B(C<sub>6</sub>H<sub>5</sub>)<sub>4</sub><italic>ortho</italic>), 7.54–7.7.58 (m, 2H, C<sub>6</sub>H<sub>5</sub><italic>meta</italic>), 7.69–7.72 (m, 1H,
C<sub>6</sub>H<sub>5</sub><italic>para</italic>), 7.79–7.82 (m, 2H, C<sub>6</sub>H<sub>5</sub><italic>ortho</italic>). <sup>13</sup>C
(d<sub>6</sub>DMSO), δ 9.74 (C5 (C<sub>5</sub>H<sub>15</sub>)), 87.42 (2CH, aromatic), 87.67 (2CH,
aromatic), 89.03 (1CH, aromatic), 94.82 (1CH, aromatic), 97.06
(C<sub>5</sub>(C<sub>5</sub>H<sub>15</sub>)), 121.43 (4CH, B(C<sub>6</sub>H<sub>5</sub>)<sub>4</sub>), 125.22 (8CH, B(C<sub>6</sub>H<sub>5</sub>)<sub>4</sub>),
128.89 (2CH, aromatic), 129.48 (2CH, aromatic), 133.83 (1CH, aromatic), 135.48
(8CH, B(C<sub>6</sub>H<sub>5</sub>)<sub>4</sub>), 135.79 (1CH, aromatic), 162.72, 163.12, 163.51, 163.90
(4CH, B(C<sub>6</sub>H<sub>5</sub>)<sub>4</sub>), (signals split by <sup>11</sup>B), 192.86 (C=O). ESMS
(m/<italic>z</italic>) +ve ion, calcd m/<italic>z</italic> for [(η<sup>5</sup>-C<sub>5</sub>(CH<sub>3</sub>)<sub>5</sub>)
Ru(η<sup>6</sup>-C<sub>6</sub>H<sub>5</sub>COC<sub>6</sub>H<sub>5</sub>)+] 418.51, found 418.85 (100%), -ve ion, calcd
m/<italic>z</italic> for B(C<sub>6</sub>H<sub>5</sub>)<sub>4</sub> 319.25, found 319.05 (100%). calcd % for
C<sub>47</sub>H<sub>45</sub>OBRu C 76.5, H 6.15, found C 76.2, H 6.14.</p></sec><sec id="refinement"><title>Refinement </title><p>H atoms attached to carbon were constrained as riding atoms, with C–H set to
0.94–96 Å. <italic>U</italic><sub>iso</sub>(H) values were set to 1.2<italic>U</italic><sub>eq</sub> (aromatic)
and 1.5<italic>U</italic><sub>eq</sub> (alkyl) of the parent atom.</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>The asymmetric unit of (I), with atom labels and 40% probability displacement ellipsoids for the non-H atoms.</p></caption><graphic xlink:href="e-65-m1486-fig1"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e370"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">C<sub>23</sub>H<sub>25</sub>ORu<sup>+</sup>·C<sub>24</sub>H<sub>20</sub>B<sup>−</sup></td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 1536</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 737.71</td><td rowspan="1" colspan="1"><italic>D</italic><sub>x</sub> = 1.306 Mg m<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">Monoclinic, <italic>P</italic>2<sub>1</sub>/<italic>n</italic></td><td rowspan="1" colspan="1">Mo <italic>K</italic>α radiation, λ = 0.71070 Å</td></tr><tr><td rowspan="1" colspan="1">Hall symbol: -P 2yn</td><td rowspan="1" colspan="1">Cell parameters from 10435 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 11.6754 (8) Å</td><td rowspan="1" colspan="1">θ = 2.8–32.8°</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 20.5730 (12) Å</td><td rowspan="1" colspan="1">µ = 0.45 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 15.6245 (9) Å</td><td rowspan="1" colspan="1"><italic>T</italic> = 296 K</td></tr><tr><td rowspan="1" colspan="1">β = 91.250 (6)°</td><td rowspan="1" colspan="1">Prism, colourless</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 3752.1 (4) Å<sup>3</sup></td><td rowspan="1" colspan="1">0.30 × 0.27 × 0.13 mm</td></tr><tr><td rowspan="1" colspan="1"><italic>Z</italic> = 4</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewrapdatacollectionlong"><title>Data collection</title><table-wrap position="anchor" id="d1e508"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Oxford-Diffraction GEMINI S Ultra diffractometer</td><td rowspan="1" colspan="1">8604 independent reflections</td></tr><tr><td rowspan="1" colspan="1">Radiation source: Enhance (Mo) X-ray Source</td><td rowspan="1" colspan="1">6521 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</td></tr><tr><td rowspan="1" colspan="1">graphite</td><td rowspan="1" colspan="1"><italic>R</italic><sub>int</sub> = 0.045</td></tr><tr><td rowspan="1" colspan="1">Detector resolution: 16.0774 pixels mm<sup>-1</sup></td><td rowspan="1" colspan="1">θ<sub>max</sub> = 27.5°, θ<sub>min</sub> = 2.8°</td></tr><tr><td rowspan="1" colspan="1">ω and φ scans</td><td rowspan="1" colspan="1"><italic>h</italic> = −15→15</td></tr><tr><td rowspan="1" colspan="1">Absorption correction: multi-scan (<italic>CrysAlis RED</italic>; Oxford Diffraction, 2007)</td><td rowspan="1" colspan="1"><italic>k</italic> = −26→26</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic><sub>min</sub> = 0.876, <italic>T</italic><sub>max</sub> = 0.943</td><td rowspan="1" colspan="1"><italic>l</italic> = −20→20</td></tr><tr><td rowspan="1" colspan="1">34346 measured reflections</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e631"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Refinement on <italic>F</italic><sup>2</sup></td><td rowspan="1" colspan="1">Primary atom site location: structure-invariant direct methods</td></tr><tr><td rowspan="1" colspan="1">Least-squares matrix: full</td><td rowspan="1" colspan="1">Secondary atom site location: difference Fourier map</td></tr><tr><td rowspan="1" colspan="1"><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.038</td><td rowspan="1" colspan="1">Hydrogen site location: inferred from neighbouring sites</td></tr><tr><td rowspan="1" colspan="1"><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.110</td><td rowspan="1" colspan="1">H-atom parameters constrained</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 1.02</td><td rowspan="1" colspan="1"><italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + (0.0688<italic>P</italic>)<sup>2</sup>] where <italic>P</italic> = (<italic>F</italic><sub>o</sub><sup>2</sup> + 2<italic>F</italic><sub>c</sub><sup>2</sup>)/3</td></tr><tr><td rowspan="1" colspan="1">8604 reflections</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> = 0.001</td></tr><tr><td rowspan="1" colspan="1">451 parameters</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 1.01 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">0 restraints</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −0.31 e Å<sup>−</sup><sup>3</sup></td></tr></table></table-wrap></sec><sec id="specialdetails"><title>Special details</title><table-wrap position="anchor" id="d1e785"><table rules="all" frame="box" style="table-layout:fixed"><tr><td rowspan="1" colspan="1">Experimental. Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.</td></tr><tr><td rowspan="1" colspan="1">Geometry. Bond distances, angles <italic>etc</italic>. have been calculated using the rounded
fractional coordinates. All su's are estimated from the variances of the
(full) variance-covariance matrix. The cell e.s.d.'s are taken into account in
the estimation of distances, angles and torsion angles</td></tr><tr><td rowspan="1" colspan="1">Refinement. Refinement on <italic>F</italic><sup>2</sup> for ALL reflections except those flagged by the user
for potential systematic errors. Weighted <italic>R</italic>-factors <italic>wR</italic> and all
goodnesses of fit <italic>S</italic> are based on <italic>F</italic><sup>2</sup>, conventional
<italic>R</italic>-factors <italic>R</italic> are based on <italic>F</italic>, with <italic>F</italic> set to zero for
negative <italic>F</italic><sup>2</sup>. The observed criterion of <italic>F</italic><sup>2</sup> > σ(<italic>F</italic><sup>2</sup>)
is used only for calculating -<italic>R</italic>-factor-obs <italic>etc</italic>. and is not
relevant to the choice of reflections for refinement. <italic>R</italic>-factors based
on <italic>F</italic><sup>2</sup> are statistically about twice as large as those based on
<italic>F</italic>, and <italic>R</italic>-factors based on ALL data will be even larger.</td></tr></table></table-wrap></sec><sec id="tablewrapcoords"><title>Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å<sup>2</sup>)</title><table-wrap position="anchor" id="d1e893"><table rules="all" frame="box" style="table-layout:fixed" summary=""><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"><italic>x</italic></td><td rowspan="1" colspan="1"><italic>y</italic></td><td rowspan="1" colspan="1"><italic>z</italic></td><td rowspan="1" colspan="1"><italic>U</italic><sub>iso</sub>*/<italic>U</italic><sub>eq</sub></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Ru</td><td rowspan="1" colspan="1">0.84997 (2)</td><td rowspan="1" colspan="1">−0.09802 (1)</td><td rowspan="1" colspan="1">0.20184 (1)</td><td rowspan="1" colspan="1">0.0324 (1)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">1.08769 (19)</td><td rowspan="1" colspan="1">−0.03654 (13)</td><td rowspan="1" colspan="1">0.34508 (17)</td><td rowspan="1" colspan="1">0.0756 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.9535 (3)</td><td rowspan="1" colspan="1">−0.04791 (15)</td><td rowspan="1" colspan="1">0.10949 (17)</td><td rowspan="1" colspan="1">0.0482 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.9916 (2)</td><td rowspan="1" colspan="1">−0.11426 (15)</td><td rowspan="1" colspan="1">0.11576 (17)</td><td rowspan="1" colspan="1">0.0450 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.8987 (2)</td><td rowspan="1" colspan="1">−0.15534 (13)</td><td rowspan="1" colspan="1">0.09019 (17)</td><td rowspan="1" colspan="1">0.0421 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.8045 (2)</td><td rowspan="1" colspan="1">−0.11479 (15)</td><td rowspan="1" colspan="1">0.06727 (17)</td><td rowspan="1" colspan="1">0.0442 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.8379 (3)</td><td rowspan="1" colspan="1">−0.04852 (14)</td><td rowspan="1" colspan="1">0.07874 (17)</td><td rowspan="1" colspan="1">0.0456 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">1.0233 (4)</td><td rowspan="1" colspan="1">0.0116 (2)</td><td rowspan="1" colspan="1">0.1288 (3)</td><td rowspan="1" colspan="1">0.0896 (16)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">1.1100 (3)</td><td rowspan="1" colspan="1">−0.1364 (3)</td><td rowspan="1" colspan="1">0.1403 (2)</td><td rowspan="1" colspan="1">0.0868 (16)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.8996 (4)</td><td rowspan="1" colspan="1">−0.22797 (17)</td><td rowspan="1" colspan="1">0.0844 (3)</td><td rowspan="1" colspan="1">0.0762 (16)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.6913 (3)</td><td rowspan="1" colspan="1">−0.1390 (2)</td><td rowspan="1" colspan="1">0.0327 (2)</td><td rowspan="1" colspan="1">0.0752 (14)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.7649 (4)</td><td rowspan="1" colspan="1">0.01049 (19)</td><td rowspan="1" colspan="1">0.0591 (3)</td><td rowspan="1" colspan="1">0.0808 (14)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.8908 (2)</td><td rowspan="1" colspan="1">−0.05747 (14)</td><td rowspan="1" colspan="1">0.33131 (16)</td><td rowspan="1" colspan="1">0.0405 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.9067 (3)</td><td rowspan="1" colspan="1">−0.12651 (15)</td><td rowspan="1" colspan="1">0.33336 (18)</td><td rowspan="1" colspan="1">0.0477 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.8181 (3)</td><td rowspan="1" colspan="1">−0.16832 (15)</td><td rowspan="1" colspan="1">0.3068 (2)</td><td rowspan="1" colspan="1">0.0545 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.7132 (3)</td><td rowspan="1" colspan="1">−0.14249 (16)</td><td rowspan="1" colspan="1">0.2773 (2)</td><td rowspan="1" colspan="1">0.0544 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.6951 (2)</td><td rowspan="1" colspan="1">−0.07452 (16)</td><td rowspan="1" colspan="1">0.27371 (18)</td><td rowspan="1" colspan="1">0.0482 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.7850 (2)</td><td rowspan="1" colspan="1">−0.03171 (13)</td><td rowspan="1" colspan="1">0.30091 (17)</td><td rowspan="1" colspan="1">0.0411 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">0.9926 (2)</td><td rowspan="1" colspan="1">−0.01548 (16)</td><td rowspan="1" colspan="1">0.35571 (18)</td><td rowspan="1" colspan="1">0.0499 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.9745 (3)</td><td rowspan="1" colspan="1">0.05050 (16)</td><td rowspan="1" colspan="1">0.39330 (19)</td><td rowspan="1" colspan="1">0.0515 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.8771 (3)</td><td rowspan="1" colspan="1">0.06664 (18)</td><td rowspan="1" colspan="1">0.43805 (19)</td><td rowspan="1" colspan="1">0.0562 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">0.8658 (3)</td><td rowspan="1" colspan="1">0.1280 (2)</td><td rowspan="1" colspan="1">0.4726 (2)</td><td rowspan="1" colspan="1">0.0742 (14)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.9517 (4)</td><td rowspan="1" colspan="1">0.1732 (2)</td><td rowspan="1" colspan="1">0.4637 (3)</td><td rowspan="1" colspan="1">0.0858 (16)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">1.0469 (4)</td><td rowspan="1" colspan="1">0.1575 (2)</td><td rowspan="1" colspan="1">0.4208 (4)</td><td rowspan="1" colspan="1">0.0972 (19)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">1.0602 (3)</td><td rowspan="1" colspan="1">0.0966 (2)</td><td rowspan="1" colspan="1">0.3852 (3)</td><td rowspan="1" colspan="1">0.0757 (16)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.5831 (2)</td><td rowspan="1" colspan="1">0.14110 (11)</td><td rowspan="1" colspan="1">0.20605 (16)</td><td rowspan="1" colspan="1">0.0324 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.6876 (2)</td><td rowspan="1" colspan="1">0.14672 (13)</td><td rowspan="1" colspan="1">0.25259 (18)</td><td rowspan="1" colspan="1">0.0401 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.7888 (2)</td><td rowspan="1" colspan="1">0.16572 (14)</td><td rowspan="1" colspan="1">0.2137 (2)</td><td rowspan="1" colspan="1">0.0514 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">0.7897 (2)</td><td rowspan="1" colspan="1">0.18102 (14)</td><td rowspan="1" colspan="1">0.1282 (2)</td><td rowspan="1" colspan="1">0.0503 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">0.6898 (3)</td><td rowspan="1" colspan="1">0.17746 (14)</td><td rowspan="1" colspan="1">0.08089 (19)</td><td rowspan="1" colspan="1">0.0471 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.5894 (2)</td><td rowspan="1" colspan="1">0.15813 (13)</td><td rowspan="1" colspan="1">0.11926 (17)</td><td rowspan="1" colspan="1">0.0386 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.3553 (2)</td><td rowspan="1" colspan="1">0.15999 (12)</td><td rowspan="1" colspan="1">0.20889 (15)</td><td rowspan="1" colspan="1">0.0352 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.2454 (2)</td><td rowspan="1" colspan="1">0.13611 (14)</td><td rowspan="1" colspan="1">0.1953 (2)</td><td rowspan="1" colspan="1">0.0510 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.1541 (3)</td><td rowspan="1" colspan="1">0.17538 (18)</td><td rowspan="1" colspan="1">0.1707 (3)</td><td rowspan="1" colspan="1">0.0676 (13)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.1688 (3)</td><td rowspan="1" colspan="1">0.24065 (17)</td><td rowspan="1" colspan="1">0.1575 (2)</td><td rowspan="1" colspan="1">0.0642 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.2755 (3)</td><td rowspan="1" colspan="1">0.26668 (14)</td><td rowspan="1" colspan="1">0.1697 (2)</td><td rowspan="1" colspan="1">0.0554 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.3669 (2)</td><td rowspan="1" colspan="1">0.22688 (13)</td><td rowspan="1" colspan="1">0.19460 (19)</td><td rowspan="1" colspan="1">0.0446 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.4634 (2)</td><td rowspan="1" colspan="1">0.12033 (12)</td><td rowspan="1" colspan="1">0.35293 (16)</td><td rowspan="1" colspan="1">0.0343 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C37</td><td rowspan="1" colspan="1">0.3847 (2)</td><td rowspan="1" colspan="1">0.15666 (14)</td><td rowspan="1" colspan="1">0.39862 (18)</td><td rowspan="1" colspan="1">0.0461 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C38</td><td rowspan="1" colspan="1">0.3842 (3)</td><td rowspan="1" colspan="1">0.15708 (18)</td><td rowspan="1" colspan="1">0.4883 (2)</td><td rowspan="1" colspan="1">0.0631 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C39</td><td rowspan="1" colspan="1">0.4635 (3)</td><td rowspan="1" colspan="1">0.1221 (2)</td><td rowspan="1" colspan="1">0.53473 (19)</td><td rowspan="1" colspan="1">0.0657 (13)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C40</td><td rowspan="1" colspan="1">0.5417 (3)</td><td rowspan="1" colspan="1">0.08492 (17)</td><td rowspan="1" colspan="1">0.4927 (2)</td><td rowspan="1" colspan="1">0.0562 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C41</td><td rowspan="1" colspan="1">0.5402 (2)</td><td rowspan="1" colspan="1">0.08402 (14)</td><td rowspan="1" colspan="1">0.40433 (18)</td><td rowspan="1" colspan="1">0.0446 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C42</td><td rowspan="1" colspan="1">0.43975 (19)</td><td rowspan="1" colspan="1">0.03810 (12)</td><td rowspan="1" colspan="1">0.22098 (16)</td><td rowspan="1" colspan="1">0.0323 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C43</td><td rowspan="1" colspan="1">0.4613 (2)</td><td rowspan="1" colspan="1">0.01326 (13)</td><td rowspan="1" colspan="1">0.13928 (17)</td><td rowspan="1" colspan="1">0.0405 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C44</td><td rowspan="1" colspan="1">0.4402 (2)</td><td rowspan="1" colspan="1">−0.05134 (15)</td><td rowspan="1" colspan="1">0.1166 (2)</td><td rowspan="1" colspan="1">0.0506 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C45</td><td rowspan="1" colspan="1">0.3970 (3)</td><td rowspan="1" colspan="1">−0.09398 (14)</td><td rowspan="1" colspan="1">0.1757 (2)</td><td rowspan="1" colspan="1">0.0560 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C46</td><td rowspan="1" colspan="1">0.3724 (3)</td><td rowspan="1" colspan="1">−0.07151 (16)</td><td rowspan="1" colspan="1">0.2559 (2)</td><td rowspan="1" colspan="1">0.0557 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C47</td><td rowspan="1" colspan="1">0.3925 (2)</td><td rowspan="1" colspan="1">−0.00675 (14)</td><td rowspan="1" colspan="1">0.27752 (19)</td><td rowspan="1" colspan="1">0.0468 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">B</td><td rowspan="1" colspan="1">0.4619 (2)</td><td rowspan="1" colspan="1">0.11538 (13)</td><td rowspan="1" colspan="1">0.24744 (18)</td><td rowspan="1" colspan="1">0.0321 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H6A</td><td rowspan="1" colspan="1">0.98700</td><td rowspan="1" colspan="1">0.04960</td><td rowspan="1" colspan="1">0.10410</td><td rowspan="1" colspan="1">0.1040*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H6B</td><td rowspan="1" colspan="1">1.03270</td><td rowspan="1" colspan="1">0.01840</td><td rowspan="1" colspan="1">0.18850</td><td rowspan="1" colspan="1">0.1040*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H6C</td><td rowspan="1" colspan="1">1.09810</td><td rowspan="1" colspan="1">0.00830</td><td rowspan="1" colspan="1">0.10420</td><td rowspan="1" colspan="1">0.1040*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H7A</td><td rowspan="1" colspan="1">1.11990</td><td rowspan="1" colspan="1">−0.13960</td><td rowspan="1" colspan="1">0.20060</td><td rowspan="1" colspan="1">0.1000*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H7B</td><td rowspan="1" colspan="1">1.16660</td><td rowspan="1" colspan="1">−0.10750</td><td rowspan="1" colspan="1">0.11850</td><td rowspan="1" colspan="1">0.1000*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H7C</td><td rowspan="1" colspan="1">1.12480</td><td rowspan="1" colspan="1">−0.17910</td><td rowspan="1" colspan="1">0.11620</td><td rowspan="1" colspan="1">0.1000*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8A</td><td rowspan="1" colspan="1">0.96550</td><td rowspan="1" colspan="1">−0.24330</td><td rowspan="1" colspan="1">0.05630</td><td rowspan="1" colspan="1">0.0890*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8B</td><td rowspan="1" colspan="1">0.83270</td><td rowspan="1" colspan="1">−0.24290</td><td rowspan="1" colspan="1">0.05240</td><td rowspan="1" colspan="1">0.0890*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8C</td><td rowspan="1" colspan="1">0.89710</td><td rowspan="1" colspan="1">−0.24700</td><td rowspan="1" colspan="1">0.14020</td><td rowspan="1" colspan="1">0.0890*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H9A</td><td rowspan="1" colspan="1">0.64100</td><td rowspan="1" colspan="1">−0.14870</td><td rowspan="1" colspan="1">0.07890</td><td rowspan="1" colspan="1">0.0890*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H9B</td><td rowspan="1" colspan="1">0.65450</td><td rowspan="1" colspan="1">−0.10670</td><td rowspan="1" colspan="1">−0.00270</td><td rowspan="1" colspan="1">0.0890*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H9C</td><td rowspan="1" colspan="1">0.70060</td><td rowspan="1" colspan="1">−0.17750</td><td rowspan="1" colspan="1">−0.00030</td><td rowspan="1" colspan="1">0.0890*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H10A</td><td rowspan="1" colspan="1">0.80590</td><td rowspan="1" colspan="1">0.04130</td><td rowspan="1" colspan="1">0.02630</td><td rowspan="1" colspan="1">0.1000*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H10B</td><td rowspan="1" colspan="1">0.69730</td><td rowspan="1" colspan="1">−0.00220</td><td rowspan="1" colspan="1">0.02620</td><td rowspan="1" colspan="1">0.1000*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H10C</td><td rowspan="1" colspan="1">0.74040</td><td rowspan="1" colspan="1">0.03050</td><td rowspan="1" colspan="1">0.11050</td><td rowspan="1" colspan="1">0.1000*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H12</td><td rowspan="1" colspan="1">0.97920</td><td rowspan="1" colspan="1">−0.14420</td><td rowspan="1" colspan="1">0.35250</td><td rowspan="1" colspan="1">0.0580*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H13</td><td rowspan="1" colspan="1">0.82930</td><td rowspan="1" colspan="1">−0.21460</td><td rowspan="1" colspan="1">0.30860</td><td rowspan="1" colspan="1">0.0650*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H14</td><td rowspan="1" colspan="1">0.65290</td><td rowspan="1" colspan="1">−0.17200</td><td rowspan="1" colspan="1">0.25940</td><td rowspan="1" colspan="1">0.0670*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H15</td><td rowspan="1" colspan="1">0.62300</td><td rowspan="1" colspan="1">−0.05710</td><td rowspan="1" colspan="1">0.25340</td><td rowspan="1" colspan="1">0.0580*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H16</td><td rowspan="1" colspan="1">0.77370</td><td rowspan="1" colspan="1">0.01430</td><td rowspan="1" colspan="1">0.29840</td><td rowspan="1" colspan="1">0.0500*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H19</td><td rowspan="1" colspan="1">0.81830</td><td rowspan="1" colspan="1">0.03540</td><td rowspan="1" colspan="1">0.44490</td><td rowspan="1" colspan="1">0.0680*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H20</td><td rowspan="1" colspan="1">0.79890</td><td rowspan="1" colspan="1">0.13870</td><td rowspan="1" colspan="1">0.50360</td><td rowspan="1" colspan="1">0.0880*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H21</td><td rowspan="1" colspan="1">0.94270</td><td rowspan="1" colspan="1">0.21560</td><td rowspan="1" colspan="1">0.48740</td><td rowspan="1" colspan="1">0.1040*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H22</td><td rowspan="1" colspan="1">1.10700</td><td rowspan="1" colspan="1">0.18930</td><td rowspan="1" colspan="1">0.41450</td><td rowspan="1" colspan="1">0.1160*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H23</td><td rowspan="1" colspan="1">1.12850</td><td rowspan="1" colspan="1">0.08600</td><td rowspan="1" colspan="1">0.35620</td><td rowspan="1" colspan="1">0.0910*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H25</td><td rowspan="1" colspan="1">0.68910</td><td rowspan="1" colspan="1">0.13690</td><td rowspan="1" colspan="1">0.31130</td><td rowspan="1" colspan="1">0.0480*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H26</td><td rowspan="1" colspan="1">0.85790</td><td rowspan="1" colspan="1">0.16800</td><td rowspan="1" colspan="1">0.24770</td><td rowspan="1" colspan="1">0.0610*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H27</td><td rowspan="1" colspan="1">0.85940</td><td rowspan="1" colspan="1">0.19390</td><td rowspan="1" colspan="1">0.10250</td><td rowspan="1" colspan="1">0.0630*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H28</td><td rowspan="1" colspan="1">0.68950</td><td rowspan="1" colspan="1">0.18850</td><td rowspan="1" colspan="1">0.02210</td><td rowspan="1" colspan="1">0.0570*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H29</td><td rowspan="1" colspan="1">0.52110</td><td rowspan="1" colspan="1">0.15650</td><td rowspan="1" colspan="1">0.08510</td><td rowspan="1" colspan="1">0.0470*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H31</td><td rowspan="1" colspan="1">0.23240</td><td rowspan="1" colspan="1">0.09060</td><td rowspan="1" colspan="1">0.20300</td><td rowspan="1" colspan="1">0.0620*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H32</td><td rowspan="1" colspan="1">0.07990</td><td rowspan="1" colspan="1">0.15690</td><td rowspan="1" colspan="1">0.16170</td><td rowspan="1" colspan="1">0.0840*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H33</td><td rowspan="1" colspan="1">0.10560</td><td rowspan="1" colspan="1">0.26750</td><td rowspan="1" colspan="1">0.14090</td><td rowspan="1" colspan="1">0.0770*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H34</td><td rowspan="1" colspan="1">0.28790</td><td rowspan="1" colspan="1">0.31180</td><td rowspan="1" colspan="1">0.16050</td><td rowspan="1" colspan="1">0.0670*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H35</td><td rowspan="1" colspan="1">0.44020</td><td rowspan="1" colspan="1">0.24600</td><td rowspan="1" colspan="1">0.20200</td><td rowspan="1" colspan="1">0.0530*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H37</td><td rowspan="1" colspan="1">0.32830</td><td rowspan="1" colspan="1">0.18130</td><td rowspan="1" colspan="1">0.36800</td><td rowspan="1" colspan="1">0.0560*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H38</td><td rowspan="1" colspan="1">0.32950</td><td rowspan="1" colspan="1">0.18220</td><td rowspan="1" colspan="1">0.51690</td><td rowspan="1" colspan="1">0.0770*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H39</td><td rowspan="1" colspan="1">0.46360</td><td rowspan="1" colspan="1">0.12380</td><td rowspan="1" colspan="1">0.59520</td><td rowspan="1" colspan="1">0.0800*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H40</td><td rowspan="1" colspan="1">0.59630</td><td rowspan="1" colspan="1">0.05990</td><td rowspan="1" colspan="1">0.52460</td><td rowspan="1" colspan="1">0.0680*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H41</td><td rowspan="1" colspan="1">0.59420</td><td rowspan="1" colspan="1">0.05720</td><td rowspan="1" colspan="1">0.37610</td><td rowspan="1" colspan="1">0.0540*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H43</td><td rowspan="1" colspan="1">0.49270</td><td rowspan="1" colspan="1">0.04110</td><td rowspan="1" colspan="1">0.09770</td><td rowspan="1" colspan="1">0.0470*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H44</td><td rowspan="1" colspan="1">0.45330</td><td rowspan="1" colspan="1">−0.06550</td><td rowspan="1" colspan="1">0.06030</td><td rowspan="1" colspan="1">0.0590*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H45</td><td rowspan="1" colspan="1">0.38460</td><td rowspan="1" colspan="1">−0.13820</td><td rowspan="1" colspan="1">0.16090</td><td rowspan="1" colspan="1">0.0680*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H46</td><td rowspan="1" colspan="1">0.34270</td><td rowspan="1" colspan="1">−0.10060</td><td rowspan="1" colspan="1">0.29630</td><td rowspan="1" colspan="1">0.0690*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H47</td><td rowspan="1" colspan="1">0.37360</td><td rowspan="1" colspan="1">0.00730</td><td rowspan="1" colspan="1">0.33310</td><td rowspan="1" colspan="1">0.0570*</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewrapadps"><title>Atomic displacement parameters (Å<sup>2</sup>)</title><table-wrap position="anchor" id="d1e2157"><table rules="all" frame="box" style="table-layout:fixed" summary=""><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"><italic>U</italic><sup>11</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>22</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>33</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>12</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>13</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>23</sup></td></tr><tr><td rowspan="1" colspan="1">Ru</td><td rowspan="1" colspan="1">0.0338 (1)</td><td rowspan="1" colspan="1">0.0337 (1)</td><td rowspan="1" colspan="1">0.0298 (1)</td><td rowspan="1" colspan="1">0.0032 (1)</td><td rowspan="1" colspan="1">0.0029 (1)</td><td rowspan="1" colspan="1">0.0022 (1)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.0451 (13)</td><td rowspan="1" colspan="1">0.0924 (19)</td><td rowspan="1" colspan="1">0.0891 (18)</td><td rowspan="1" colspan="1">0.0093 (12)</td><td rowspan="1" colspan="1">−0.0040 (12)</td><td rowspan="1" colspan="1">−0.0270 (15)</td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.0593 (18)</td><td rowspan="1" colspan="1">0.0520 (17)</td><td rowspan="1" colspan="1">0.0337 (14)</td><td rowspan="1" colspan="1">−0.0123 (14)</td><td rowspan="1" colspan="1">0.0128 (12)</td><td rowspan="1" colspan="1">0.0010 (13)</td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.0361 (14)</td><td rowspan="1" colspan="1">0.0651 (19)</td><td rowspan="1" colspan="1">0.0339 (14)</td><td rowspan="1" colspan="1">0.0090 (13)</td><td rowspan="1" colspan="1">0.0056 (11)</td><td rowspan="1" colspan="1">0.0071 (13)</td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.0474 (15)</td><td rowspan="1" colspan="1">0.0443 (15)</td><td rowspan="1" colspan="1">0.0349 (14)</td><td rowspan="1" colspan="1">0.0137 (12)</td><td rowspan="1" colspan="1">0.0059 (11)</td><td rowspan="1" colspan="1">−0.0021 (12)</td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.0428 (15)</td><td rowspan="1" colspan="1">0.0570 (18)</td><td rowspan="1" colspan="1">0.0328 (14)</td><td rowspan="1" colspan="1">0.0118 (12)</td><td rowspan="1" colspan="1">−0.0013 (11)</td><td rowspan="1" colspan="1">−0.0044 (12)</td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.0566 (17)</td><td rowspan="1" colspan="1">0.0473 (16)</td><td rowspan="1" colspan="1">0.0333 (14)</td><td rowspan="1" colspan="1">0.0146 (13)</td><td rowspan="1" colspan="1">0.0086 (12)</td><td rowspan="1" colspan="1">0.0062 (12)</td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.119 (3)</td><td rowspan="1" colspan="1">0.085 (3)</td><td rowspan="1" colspan="1">0.066 (2)</td><td rowspan="1" colspan="1">−0.055 (3)</td><td rowspan="1" colspan="1">0.030 (2)</td><td rowspan="1" colspan="1">−0.005 (2)</td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.0366 (17)</td><td rowspan="1" colspan="1">0.160 (4)</td><td rowspan="1" colspan="1">0.064 (2)</td><td rowspan="1" colspan="1">0.026 (2)</td><td rowspan="1" colspan="1">0.0057 (15)</td><td rowspan="1" colspan="1">0.015 (3)</td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.105 (3)</td><td rowspan="1" colspan="1">0.049 (2)</td><td rowspan="1" colspan="1">0.075 (3)</td><td rowspan="1" colspan="1">0.0209 (19)</td><td rowspan="1" colspan="1">0.013 (2)</td><td rowspan="1" colspan="1">−0.0080 (18)</td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.0530 (19)</td><td rowspan="1" colspan="1">0.109 (3)</td><td rowspan="1" colspan="1">0.063 (2)</td><td rowspan="1" colspan="1">0.005 (2)</td><td rowspan="1" colspan="1">−0.0130 (16)</td><td rowspan="1" colspan="1">−0.024 (2)</td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.111 (3)</td><td rowspan="1" colspan="1">0.066 (2)</td><td rowspan="1" colspan="1">0.066 (2)</td><td rowspan="1" colspan="1">0.047 (2)</td><td rowspan="1" colspan="1">0.015 (2)</td><td rowspan="1" colspan="1">0.0216 (19)</td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.0431 (14)</td><td rowspan="1" colspan="1">0.0490 (16)</td><td rowspan="1" colspan="1">0.0293 (13)</td><td rowspan="1" colspan="1">0.0056 (12)</td><td rowspan="1" colspan="1">0.0019 (10)</td><td rowspan="1" colspan="1">−0.0009 (12)</td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.0578 (17)</td><td rowspan="1" colspan="1">0.0505 (16)</td><td rowspan="1" colspan="1">0.0347 (14)</td><td rowspan="1" colspan="1">0.0099 (14)</td><td rowspan="1" colspan="1">0.0022 (12)</td><td rowspan="1" colspan="1">0.0079 (13)</td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.072 (2)</td><td rowspan="1" colspan="1">0.0474 (17)</td><td rowspan="1" colspan="1">0.0444 (16)</td><td rowspan="1" colspan="1">−0.0005 (15)</td><td rowspan="1" colspan="1">0.0111 (15)</td><td rowspan="1" colspan="1">0.0149 (14)</td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.0547 (18)</td><td rowspan="1" colspan="1">0.0590 (19)</td><td rowspan="1" colspan="1">0.0501 (17)</td><td rowspan="1" colspan="1">−0.0141 (15)</td><td rowspan="1" colspan="1">0.0158 (14)</td><td rowspan="1" colspan="1">0.0024 (15)</td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.0344 (14)</td><td rowspan="1" colspan="1">0.0686 (19)</td><td rowspan="1" colspan="1">0.0420 (15)</td><td rowspan="1" colspan="1">0.0026 (13)</td><td rowspan="1" colspan="1">0.0103 (12)</td><td rowspan="1" colspan="1">−0.0019 (14)</td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.0430 (15)</td><td rowspan="1" colspan="1">0.0456 (15)</td><td rowspan="1" colspan="1">0.0348 (13)</td><td rowspan="1" colspan="1">0.0078 (12)</td><td rowspan="1" colspan="1">0.0053 (11)</td><td rowspan="1" colspan="1">−0.0050 (12)</td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">0.0451 (16)</td><td rowspan="1" colspan="1">0.070 (2)</td><td rowspan="1" colspan="1">0.0345 (14)</td><td rowspan="1" colspan="1">0.0059 (14)</td><td rowspan="1" colspan="1">0.0006 (11)</td><td rowspan="1" colspan="1">−0.0029 (14)</td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.0523 (17)</td><td rowspan="1" colspan="1">0.0608 (19)</td><td rowspan="1" colspan="1">0.0410 (16)</td><td rowspan="1" colspan="1">0.0005 (14)</td><td rowspan="1" colspan="1">−0.0067 (13)</td><td rowspan="1" colspan="1">−0.0061 (14)</td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.0588 (19)</td><td rowspan="1" colspan="1">0.071 (2)</td><td rowspan="1" colspan="1">0.0386 (16)</td><td rowspan="1" colspan="1">0.0002 (16)</td><td rowspan="1" colspan="1">−0.0046 (13)</td><td rowspan="1" colspan="1">−0.0105 (15)</td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">0.076 (2)</td><td rowspan="1" colspan="1">0.090 (3)</td><td rowspan="1" colspan="1">0.056 (2)</td><td rowspan="1" colspan="1">0.017 (2)</td><td rowspan="1" colspan="1">−0.0111 (18)</td><td rowspan="1" colspan="1">−0.025 (2)</td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.098 (3)</td><td rowspan="1" colspan="1">0.064 (2)</td><td rowspan="1" colspan="1">0.094 (3)</td><td rowspan="1" colspan="1">0.011 (2)</td><td rowspan="1" colspan="1">−0.029 (3)</td><td rowspan="1" colspan="1">−0.025 (2)</td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.085 (3)</td><td rowspan="1" colspan="1">0.072 (3)</td><td rowspan="1" colspan="1">0.134 (4)</td><td rowspan="1" colspan="1">−0.017 (2)</td><td rowspan="1" colspan="1">−0.011 (3)</td><td rowspan="1" colspan="1">−0.011 (3)</td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.062 (2)</td><td rowspan="1" colspan="1">0.083 (3)</td><td rowspan="1" colspan="1">0.082 (3)</td><td rowspan="1" colspan="1">−0.0110 (19)</td><td rowspan="1" colspan="1">−0.0005 (19)</td><td rowspan="1" colspan="1">−0.010 (2)</td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.0333 (12)</td><td rowspan="1" colspan="1">0.0270 (11)</td><td rowspan="1" colspan="1">0.0369 (13)</td><td rowspan="1" colspan="1">0.0009 (9)</td><td rowspan="1" colspan="1">0.0030 (10)</td><td rowspan="1" colspan="1">−0.0010 (10)</td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.0373 (14)</td><td rowspan="1" colspan="1">0.0398 (14)</td><td rowspan="1" colspan="1">0.0433 (15)</td><td rowspan="1" colspan="1">0.0013 (11)</td><td rowspan="1" colspan="1">0.0005 (11)</td><td rowspan="1" colspan="1">0.0030 (12)</td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.0327 (14)</td><td rowspan="1" colspan="1">0.0466 (16)</td><td rowspan="1" colspan="1">0.075 (2)</td><td rowspan="1" colspan="1">0.0001 (12)</td><td rowspan="1" colspan="1">0.0008 (13)</td><td rowspan="1" colspan="1">0.0017 (15)</td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">0.0414 (15)</td><td rowspan="1" colspan="1">0.0422 (15)</td><td rowspan="1" colspan="1">0.068 (2)</td><td rowspan="1" colspan="1">−0.0007 (12)</td><td rowspan="1" colspan="1">0.0202 (14)</td><td rowspan="1" colspan="1">0.0022 (14)</td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">0.0553 (17)</td><td rowspan="1" colspan="1">0.0404 (15)</td><td rowspan="1" colspan="1">0.0463 (16)</td><td rowspan="1" colspan="1">0.0010 (12)</td><td rowspan="1" colspan="1">0.0190 (13)</td><td rowspan="1" colspan="1">0.0019 (13)</td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.0401 (14)</td><td rowspan="1" colspan="1">0.0387 (14)</td><td rowspan="1" colspan="1">0.0372 (14)</td><td rowspan="1" colspan="1">−0.0024 (11)</td><td rowspan="1" colspan="1">0.0049 (11)</td><td rowspan="1" colspan="1">0.0012 (11)</td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.0372 (13)</td><td rowspan="1" colspan="1">0.0360 (13)</td><td rowspan="1" colspan="1">0.0326 (13)</td><td rowspan="1" colspan="1">0.0028 (10)</td><td rowspan="1" colspan="1">0.0041 (10)</td><td rowspan="1" colspan="1">0.0002 (11)</td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.0379 (15)</td><td rowspan="1" colspan="1">0.0430 (16)</td><td rowspan="1" colspan="1">0.072 (2)</td><td rowspan="1" colspan="1">0.0001 (12)</td><td rowspan="1" colspan="1">−0.0039 (13)</td><td rowspan="1" colspan="1">0.0034 (15)</td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.0373 (16)</td><td rowspan="1" colspan="1">0.066 (2)</td><td rowspan="1" colspan="1">0.099 (3)</td><td rowspan="1" colspan="1">0.0059 (15)</td><td rowspan="1" colspan="1">−0.0105 (17)</td><td rowspan="1" colspan="1">−0.002 (2)</td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.057 (2)</td><td rowspan="1" colspan="1">0.062 (2)</td><td rowspan="1" colspan="1">0.073 (2)</td><td rowspan="1" colspan="1">0.0272 (17)</td><td rowspan="1" colspan="1">−0.0106 (16)</td><td rowspan="1" colspan="1">0.0002 (18)</td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.067 (2)</td><td rowspan="1" colspan="1">0.0384 (15)</td><td rowspan="1" colspan="1">0.061 (2)</td><td rowspan="1" colspan="1">0.0130 (14)</td><td rowspan="1" colspan="1">0.0057 (15)</td><td rowspan="1" colspan="1">0.0039 (14)</td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.0447 (15)</td><td rowspan="1" colspan="1">0.0371 (14)</td><td rowspan="1" colspan="1">0.0520 (17)</td><td rowspan="1" colspan="1">0.0013 (11)</td><td rowspan="1" colspan="1">0.0023 (12)</td><td rowspan="1" colspan="1">0.0009 (12)</td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.0355 (12)</td><td rowspan="1" colspan="1">0.0326 (12)</td><td rowspan="1" colspan="1">0.0350 (13)</td><td rowspan="1" colspan="1">−0.0090 (10)</td><td rowspan="1" colspan="1">0.0059 (10)</td><td rowspan="1" colspan="1">0.0001 (10)</td></tr><tr><td rowspan="1" colspan="1">C37</td><td rowspan="1" colspan="1">0.0435 (15)</td><td rowspan="1" colspan="1">0.0517 (16)</td><td rowspan="1" colspan="1">0.0434 (15)</td><td rowspan="1" colspan="1">−0.0060 (12)</td><td rowspan="1" colspan="1">0.0102 (12)</td><td rowspan="1" colspan="1">−0.0063 (13)</td></tr><tr><td rowspan="1" colspan="1">C38</td><td rowspan="1" colspan="1">0.062 (2)</td><td rowspan="1" colspan="1">0.079 (2)</td><td rowspan="1" colspan="1">0.0492 (18)</td><td rowspan="1" colspan="1">−0.0113 (17)</td><td rowspan="1" colspan="1">0.0230 (16)</td><td rowspan="1" colspan="1">−0.0165 (17)</td></tr><tr><td rowspan="1" colspan="1">C39</td><td rowspan="1" colspan="1">0.070 (2)</td><td rowspan="1" colspan="1">0.096 (3)</td><td rowspan="1" colspan="1">0.0317 (15)</td><td rowspan="1" colspan="1">−0.026 (2)</td><td rowspan="1" colspan="1">0.0119 (15)</td><td rowspan="1" colspan="1">−0.0050 (17)</td></tr><tr><td rowspan="1" colspan="1">C40</td><td rowspan="1" colspan="1">0.0614 (19)</td><td rowspan="1" colspan="1">0.068 (2)</td><td rowspan="1" colspan="1">0.0391 (15)</td><td rowspan="1" colspan="1">−0.0120 (15)</td><td rowspan="1" colspan="1">−0.0020 (14)</td><td rowspan="1" colspan="1">0.0152 (15)</td></tr><tr><td rowspan="1" colspan="1">C41</td><td rowspan="1" colspan="1">0.0514 (16)</td><td rowspan="1" colspan="1">0.0464 (16)</td><td rowspan="1" colspan="1">0.0362 (14)</td><td rowspan="1" colspan="1">−0.0020 (12)</td><td rowspan="1" colspan="1">0.0033 (12)</td><td rowspan="1" colspan="1">0.0040 (12)</td></tr><tr><td rowspan="1" colspan="1">C42</td><td rowspan="1" colspan="1">0.0266 (11)</td><td rowspan="1" colspan="1">0.0339 (12)</td><td rowspan="1" colspan="1">0.0362 (13)</td><td rowspan="1" colspan="1">0.0017 (9)</td><td rowspan="1" colspan="1">−0.0016 (9)</td><td rowspan="1" colspan="1">0.0018 (10)</td></tr><tr><td rowspan="1" colspan="1">C43</td><td rowspan="1" colspan="1">0.0401 (14)</td><td rowspan="1" colspan="1">0.0414 (14)</td><td rowspan="1" colspan="1">0.0398 (14)</td><td rowspan="1" colspan="1">0.0044 (11)</td><td rowspan="1" colspan="1">−0.0008 (11)</td><td rowspan="1" colspan="1">−0.0036 (12)</td></tr><tr><td rowspan="1" colspan="1">C44</td><td rowspan="1" colspan="1">0.0418 (15)</td><td rowspan="1" colspan="1">0.0509 (17)</td><td rowspan="1" colspan="1">0.0588 (19)</td><td rowspan="1" colspan="1">0.0074 (13)</td><td rowspan="1" colspan="1">−0.0048 (13)</td><td rowspan="1" colspan="1">−0.0185 (15)</td></tr><tr><td rowspan="1" colspan="1">C45</td><td rowspan="1" colspan="1">0.0464 (16)</td><td rowspan="1" colspan="1">0.0359 (15)</td><td rowspan="1" colspan="1">0.085 (2)</td><td rowspan="1" colspan="1">−0.0020 (13)</td><td rowspan="1" colspan="1">−0.0142 (16)</td><td rowspan="1" colspan="1">−0.0098 (16)</td></tr><tr><td rowspan="1" colspan="1">C46</td><td rowspan="1" colspan="1">0.0550 (18)</td><td rowspan="1" colspan="1">0.0428 (16)</td><td rowspan="1" colspan="1">0.069 (2)</td><td rowspan="1" colspan="1">−0.0151 (14)</td><td rowspan="1" colspan="1">−0.0025 (15)</td><td rowspan="1" colspan="1">0.0080 (16)</td></tr><tr><td rowspan="1" colspan="1">C47</td><td rowspan="1" colspan="1">0.0513 (16)</td><td rowspan="1" colspan="1">0.0435 (15)</td><td rowspan="1" colspan="1">0.0456 (16)</td><td rowspan="1" colspan="1">−0.0110 (12)</td><td rowspan="1" colspan="1">0.0045 (12)</td><td rowspan="1" colspan="1">0.0013 (13)</td></tr><tr><td rowspan="1" colspan="1">B</td><td rowspan="1" colspan="1">0.0320 (14)</td><td rowspan="1" colspan="1">0.0307 (14)</td><td rowspan="1" colspan="1">0.0338 (14)</td><td rowspan="1" colspan="1">0.0008 (10)</td><td rowspan="1" colspan="1">0.0034 (11)</td><td rowspan="1" colspan="1">0.0024 (11)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, °)</title><table-wrap position="anchor" id="d1e3074"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="4"><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Ru—C1</td><td rowspan="1" colspan="1">2.164 (3)</td><td rowspan="1" colspan="1">C16—H16</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">Ru—C2</td><td rowspan="1" colspan="1">2.180 (2)</td><td rowspan="1" colspan="1">C19—H19</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">Ru—C3</td><td rowspan="1" colspan="1">2.191 (3)</td><td rowspan="1" colspan="1">C20—H20</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">Ru—C4</td><td rowspan="1" colspan="1">2.185 (3)</td><td rowspan="1" colspan="1">C21—H21</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">Ru—C5</td><td rowspan="1" colspan="1">2.178 (3)</td><td rowspan="1" colspan="1">C22—H22</td><td rowspan="1" colspan="1">0.9700</td></tr><tr><td rowspan="1" colspan="1">Ru—C11</td><td rowspan="1" colspan="1">2.230 (3)</td><td rowspan="1" colspan="1">C23—H23</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">Ru—C12</td><td rowspan="1" colspan="1">2.224 (3)</td><td rowspan="1" colspan="1">C24—C25</td><td rowspan="1" colspan="1">1.411 (3)</td></tr><tr><td rowspan="1" colspan="1">Ru—C13</td><td rowspan="1" colspan="1">2.224 (3)</td><td rowspan="1" colspan="1">C24—C29</td><td rowspan="1" colspan="1">1.404 (4)</td></tr><tr><td rowspan="1" colspan="1">Ru—C14</td><td rowspan="1" colspan="1">2.204 (3)</td><td rowspan="1" colspan="1">C24—B</td><td rowspan="1" colspan="1">1.656 (3)</td></tr><tr><td rowspan="1" colspan="1">Ru—C15</td><td rowspan="1" colspan="1">2.203 (3)</td><td rowspan="1" colspan="1">C25—C26</td><td rowspan="1" colspan="1">1.396 (4)</td></tr><tr><td rowspan="1" colspan="1">Ru—C16</td><td rowspan="1" colspan="1">2.210 (3)</td><td rowspan="1" colspan="1">C26—C27</td><td rowspan="1" colspan="1">1.373 (4)</td></tr><tr><td rowspan="1" colspan="1">O1—C17</td><td rowspan="1" colspan="1">1.207 (3)</td><td rowspan="1" colspan="1">C27—C28</td><td rowspan="1" colspan="1">1.369 (4)</td></tr><tr><td rowspan="1" colspan="1">C1—C2</td><td rowspan="1" colspan="1">1.438 (4)</td><td rowspan="1" colspan="1">C28—C29</td><td rowspan="1" colspan="1">1.387 (4)</td></tr><tr><td rowspan="1" colspan="1">C1—C5</td><td rowspan="1" colspan="1">1.423 (5)</td><td rowspan="1" colspan="1">C30—C31</td><td rowspan="1" colspan="1">1.386 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—C6</td><td rowspan="1" colspan="1">1.498 (5)</td><td rowspan="1" colspan="1">C30—C35</td><td rowspan="1" colspan="1">1.401 (4)</td></tr><tr><td rowspan="1" colspan="1">C2—C3</td><td rowspan="1" colspan="1">1.425 (4)</td><td rowspan="1" colspan="1">C30—B</td><td rowspan="1" colspan="1">1.650 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C7</td><td rowspan="1" colspan="1">1.497 (5)</td><td rowspan="1" colspan="1">C31—C32</td><td rowspan="1" colspan="1">1.385 (5)</td></tr><tr><td rowspan="1" colspan="1">C3—C4</td><td rowspan="1" colspan="1">1.420 (4)</td><td rowspan="1" colspan="1">C32—C33</td><td rowspan="1" colspan="1">1.370 (5)</td></tr><tr><td rowspan="1" colspan="1">C3—C8</td><td rowspan="1" colspan="1">1.497 (4)</td><td rowspan="1" colspan="1">C33—C34</td><td rowspan="1" colspan="1">1.366 (5)</td></tr><tr><td rowspan="1" colspan="1">C4—C5</td><td rowspan="1" colspan="1">1.428 (4)</td><td rowspan="1" colspan="1">C34—C35</td><td rowspan="1" colspan="1">1.394 (4)</td></tr><tr><td rowspan="1" colspan="1">C4—C9</td><td rowspan="1" colspan="1">1.502 (4)</td><td rowspan="1" colspan="1">C36—C37</td><td rowspan="1" colspan="1">1.393 (4)</td></tr><tr><td rowspan="1" colspan="1">C5—C10</td><td rowspan="1" colspan="1">1.511 (5)</td><td rowspan="1" colspan="1">C36—C41</td><td rowspan="1" colspan="1">1.406 (4)</td></tr><tr><td rowspan="1" colspan="1">C11—C12</td><td rowspan="1" colspan="1">1.433 (4)</td><td rowspan="1" colspan="1">C36—B</td><td rowspan="1" colspan="1">1.651 (4)</td></tr><tr><td rowspan="1" colspan="1">C11—C16</td><td rowspan="1" colspan="1">1.417 (3)</td><td rowspan="1" colspan="1">C37—C38</td><td rowspan="1" colspan="1">1.401 (4)</td></tr><tr><td rowspan="1" colspan="1">C11—C17</td><td rowspan="1" colspan="1">1.512 (4)</td><td rowspan="1" colspan="1">C38—C39</td><td rowspan="1" colspan="1">1.368 (5)</td></tr><tr><td rowspan="1" colspan="1">C12—C13</td><td rowspan="1" colspan="1">1.401 (5)</td><td rowspan="1" colspan="1">C39—C40</td><td rowspan="1" colspan="1">1.370 (5)</td></tr><tr><td rowspan="1" colspan="1">C13—C14</td><td rowspan="1" colspan="1">1.404 (5)</td><td rowspan="1" colspan="1">C40—C41</td><td rowspan="1" colspan="1">1.381 (4)</td></tr><tr><td rowspan="1" colspan="1">C14—C15</td><td rowspan="1" colspan="1">1.415 (5)</td><td rowspan="1" colspan="1">C42—C43</td><td rowspan="1" colspan="1">1.403 (4)</td></tr><tr><td rowspan="1" colspan="1">C15—C16</td><td rowspan="1" colspan="1">1.428 (4)</td><td rowspan="1" colspan="1">C42—C47</td><td rowspan="1" colspan="1">1.399 (4)</td></tr><tr><td rowspan="1" colspan="1">C17—C18</td><td rowspan="1" colspan="1">1.496 (5)</td><td rowspan="1" colspan="1">C42—B</td><td rowspan="1" colspan="1">1.662 (4)</td></tr><tr><td rowspan="1" colspan="1">C18—C19</td><td rowspan="1" colspan="1">1.388 (5)</td><td rowspan="1" colspan="1">C43—C44</td><td rowspan="1" colspan="1">1.396 (4)</td></tr><tr><td rowspan="1" colspan="1">C18—C23</td><td rowspan="1" colspan="1">1.386 (5)</td><td rowspan="1" colspan="1">C44—C45</td><td rowspan="1" colspan="1">1.377 (4)</td></tr><tr><td rowspan="1" colspan="1">C19—C20</td><td rowspan="1" colspan="1">1.380 (5)</td><td rowspan="1" colspan="1">C45—C46</td><td rowspan="1" colspan="1">1.372 (4)</td></tr><tr><td rowspan="1" colspan="1">C20—C21</td><td rowspan="1" colspan="1">1.377 (6)</td><td rowspan="1" colspan="1">C46—C47</td><td rowspan="1" colspan="1">1.393 (4)</td></tr><tr><td rowspan="1" colspan="1">C21—C22</td><td rowspan="1" colspan="1">1.350 (7)</td><td rowspan="1" colspan="1">C25—H25</td><td rowspan="1" colspan="1">0.9400</td></tr><tr><td rowspan="1" colspan="1">C22—C23</td><td rowspan="1" colspan="1">1.381 (6)</td><td rowspan="1" colspan="1">C26—H26</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">C6—H6A</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">C27—H27</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C6—H6B</td><td rowspan="1" colspan="1">0.9500</td><td rowspan="1" colspan="1">C28—H28</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C6—H6C</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C29—H29</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C7—H7A</td><td rowspan="1" colspan="1">0.9500</td><td rowspan="1" colspan="1">C31—H31</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">C7—H7B</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C32—H32</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C7—H7C</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">C33—H33</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C8—H8A</td><td rowspan="1" colspan="1">0.9500</td><td rowspan="1" colspan="1">C34—H34</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C8—H8B</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">C35—H35</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C8—H8C</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C37—H37</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C9—H9A</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C38—H38</td><td rowspan="1" colspan="1">0.9400</td></tr><tr><td rowspan="1" colspan="1">C9—H9B</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C39—H39</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C9—H9C</td><td rowspan="1" colspan="1">0.9500</td><td rowspan="1" colspan="1">C40—H40</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C10—H10A</td><td rowspan="1" colspan="1">0.9500</td><td rowspan="1" colspan="1">C41—H41</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C10—H10B</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">C43—H43</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C10—H10C</td><td rowspan="1" colspan="1">0.9500</td><td rowspan="1" colspan="1">C44—H44</td><td rowspan="1" colspan="1">0.9400</td></tr><tr><td rowspan="1" colspan="1">C12—H12</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C45—H45</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C13—H13</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C46—H46</td><td rowspan="1" colspan="1">0.9400</td></tr><tr><td rowspan="1" colspan="1">C14—H14</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">C47—H47</td><td rowspan="1" colspan="1">0.9500</td></tr><tr><td rowspan="1" colspan="1">C15—H15</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1···H6B</td><td rowspan="1" colspan="1">2.7600</td><td rowspan="1" colspan="1">C27···H13<sup>iii</sup></td><td rowspan="1" colspan="1">2.7500</td></tr><tr><td rowspan="1" colspan="1">O1···H12</td><td rowspan="1" colspan="1">2.5600</td><td rowspan="1" colspan="1">C28···H13<sup>iii</sup></td><td rowspan="1" colspan="1">2.8200</td></tr><tr><td rowspan="1" colspan="1">O1···H23</td><td rowspan="1" colspan="1">2.5700</td><td rowspan="1" colspan="1">C29···H13<sup>iii</sup></td><td rowspan="1" colspan="1">3.0000</td></tr><tr><td rowspan="1" colspan="1">C1···C3</td><td rowspan="1" colspan="1">2.319 (4)</td><td rowspan="1" colspan="1">C29···H35</td><td rowspan="1" colspan="1">2.8400</td></tr><tr><td rowspan="1" colspan="1">C1···C4</td><td rowspan="1" colspan="1">2.303 (4)</td><td rowspan="1" colspan="1">C29···H43</td><td rowspan="1" colspan="1">2.6800</td></tr><tr><td rowspan="1" colspan="1">C1···C7</td><td rowspan="1" colspan="1">2.617 (6)</td><td rowspan="1" colspan="1">C30···H29</td><td rowspan="1" colspan="1">2.7700</td></tr><tr><td rowspan="1" colspan="1">C1···C10</td><td rowspan="1" colspan="1">2.615 (6)</td><td rowspan="1" colspan="1">C30···H37</td><td rowspan="1" colspan="1">2.5500</td></tr><tr><td rowspan="1" colspan="1">C1···C11</td><td rowspan="1" colspan="1">3.563 (4)</td><td rowspan="1" colspan="1">C31···H37</td><td rowspan="1" colspan="1">2.9900</td></tr><tr><td rowspan="1" colspan="1">C2···C4</td><td rowspan="1" colspan="1">2.297 (3)</td><td rowspan="1" colspan="1">C31···H23<sup>iv</sup></td><td rowspan="1" colspan="1">3.0700</td></tr><tr><td rowspan="1" colspan="1">C2···C5</td><td rowspan="1" colspan="1">2.311 (4)</td><td rowspan="1" colspan="1">C34···H7A<sup>iii</sup></td><td rowspan="1" colspan="1">3.0300</td></tr><tr><td rowspan="1" colspan="1">C2···C6</td><td rowspan="1" colspan="1">2.623 (5)</td><td rowspan="1" colspan="1">C35···H37</td><td rowspan="1" colspan="1">2.9100</td></tr><tr><td rowspan="1" colspan="1">C2···C8</td><td rowspan="1" colspan="1">2.616 (5)</td><td rowspan="1" colspan="1">C35···H29</td><td rowspan="1" colspan="1">2.9000</td></tr><tr><td rowspan="1" colspan="1">C2···C12</td><td rowspan="1" colspan="1">3.571 (4)</td><td rowspan="1" colspan="1">C36···H47</td><td rowspan="1" colspan="1">2.5700</td></tr><tr><td rowspan="1" colspan="1">C3···C1</td><td rowspan="1" colspan="1">2.319 (4)</td><td rowspan="1" colspan="1">C36···H25</td><td rowspan="1" colspan="1">2.7500</td></tr><tr><td rowspan="1" colspan="1">C3···C5</td><td rowspan="1" colspan="1">2.315 (4)</td><td rowspan="1" colspan="1">C37···H8A<sup>iii</sup></td><td rowspan="1" colspan="1">2.7800</td></tr><tr><td rowspan="1" colspan="1">C3···C7</td><td rowspan="1" colspan="1">2.601 (4)</td><td rowspan="1" colspan="1">C38···H8A<sup>iii</sup></td><td rowspan="1" colspan="1">2.8000</td></tr><tr><td rowspan="1" colspan="1">C3···C9</td><td rowspan="1" colspan="1">2.586 (4)</td><td rowspan="1" colspan="1">C41···H25</td><td rowspan="1" colspan="1">2.5400</td></tr><tr><td rowspan="1" colspan="1">C3···C13</td><td rowspan="1" colspan="1">3.543 (4)</td><td rowspan="1" colspan="1">C41···H47</td><td rowspan="1" colspan="1">2.7200</td></tr><tr><td rowspan="1" colspan="1">C4···C1</td><td rowspan="1" colspan="1">2.303 (4)</td><td rowspan="1" colspan="1">C42···H41</td><td rowspan="1" colspan="1">3.0100</td></tr><tr><td rowspan="1" colspan="1">C4···C2</td><td rowspan="1" colspan="1">2.297 (3)</td><td rowspan="1" colspan="1">C42···H31</td><td rowspan="1" colspan="1">2.6600</td></tr><tr><td rowspan="1" colspan="1">C4···C8</td><td rowspan="1" colspan="1">2.591 (5)</td><td rowspan="1" colspan="1">C42···H15</td><td rowspan="1" colspan="1">2.9400</td></tr><tr><td rowspan="1" colspan="1">C4···C10</td><td rowspan="1" colspan="1">2.621 (5)</td><td rowspan="1" colspan="1">C43···H15</td><td rowspan="1" colspan="1">2.9500</td></tr><tr><td rowspan="1" colspan="1">C4···C14</td><td rowspan="1" colspan="1">3.519 (4)</td><td rowspan="1" colspan="1">C44···H10B<sup>vi</sup></td><td rowspan="1" colspan="1">2.9300</td></tr><tr><td rowspan="1" colspan="1">C4···C15</td><td rowspan="1" colspan="1">3.592 (4)</td><td rowspan="1" colspan="1">C44···H15</td><td rowspan="1" colspan="1">2.9900</td></tr><tr><td rowspan="1" colspan="1">C5···C2</td><td rowspan="1" colspan="1">2.311 (4)</td><td rowspan="1" colspan="1">C45···H15</td><td rowspan="1" colspan="1">2.9800</td></tr><tr><td rowspan="1" colspan="1">C5···C3</td><td rowspan="1" colspan="1">2.315 (4)</td><td rowspan="1" colspan="1">C45···H7B<sup>iv</sup></td><td rowspan="1" colspan="1">2.8300</td></tr><tr><td rowspan="1" colspan="1">C5···C6</td><td rowspan="1" colspan="1">2.599 (6)</td><td rowspan="1" colspan="1">C46···H15</td><td rowspan="1" colspan="1">2.9400</td></tr><tr><td rowspan="1" colspan="1">C5···C9</td><td rowspan="1" colspan="1">2.619 (5)</td><td rowspan="1" colspan="1">C47···H15</td><td rowspan="1" colspan="1">2.9200</td></tr><tr><td rowspan="1" colspan="1">C5···C15</td><td rowspan="1" colspan="1">3.545 (4)</td><td rowspan="1" colspan="1">C47···H41</td><td rowspan="1" colspan="1">3.0800</td></tr><tr><td rowspan="1" colspan="1">C5···C16</td><td rowspan="1" colspan="1">3.556 (4)</td><td rowspan="1" colspan="1">C47···H31</td><td rowspan="1" colspan="1">2.9600</td></tr><tr><td rowspan="1" colspan="1">C7···C45<sup>i</sup></td><td rowspan="1" colspan="1">3.495 (5)</td><td rowspan="1" colspan="1">H6A···H10A</td><td rowspan="1" colspan="1">2.4200</td></tr><tr><td rowspan="1" colspan="1">C8···C37<sup>ii</sup></td><td rowspan="1" colspan="1">3.467 (5)</td><td rowspan="1" colspan="1">H6A···C10</td><td rowspan="1" colspan="1">2.7900</td></tr><tr><td rowspan="1" colspan="1">C10···C28</td><td rowspan="1" colspan="1">3.563 (5)</td><td rowspan="1" colspan="1">H6B···C17</td><td rowspan="1" colspan="1">2.7500</td></tr><tr><td rowspan="1" colspan="1">C11···C15</td><td rowspan="1" colspan="1">2.463 (3)</td><td rowspan="1" colspan="1">H6B···O1</td><td rowspan="1" colspan="1">2.7600</td></tr><tr><td rowspan="1" colspan="1">C11···C13</td><td rowspan="1" colspan="1">2.460 (4)</td><td rowspan="1" colspan="1">H6C···H10A<sup>v</sup></td><td rowspan="1" colspan="1">2.5600</td></tr><tr><td rowspan="1" colspan="1">C11···C1</td><td rowspan="1" colspan="1">3.563 (4)</td><td rowspan="1" colspan="1">H6C···C10<sup>v</sup></td><td rowspan="1" colspan="1">3.0700</td></tr><tr><td rowspan="1" colspan="1">C11···C14</td><td rowspan="1" colspan="1">2.828 (4)</td><td rowspan="1" colspan="1">H6C···C7</td><td rowspan="1" colspan="1">3.0300</td></tr><tr><td rowspan="1" colspan="1">C12···C17</td><td rowspan="1" colspan="1">2.516 (4)</td><td rowspan="1" colspan="1">H6C···H7B</td><td rowspan="1" colspan="1">2.5200</td></tr><tr><td rowspan="1" colspan="1">C12···C14</td><td rowspan="1" colspan="1">2.428 (5)</td><td rowspan="1" colspan="1">H6C···C5<sup>v</sup></td><td rowspan="1" colspan="1">3.0800</td></tr><tr><td rowspan="1" colspan="1">C12···C15</td><td rowspan="1" colspan="1">2.831 (4)</td><td rowspan="1" colspan="1">H7A···C34<sup>ii</sup></td><td rowspan="1" colspan="1">3.0300</td></tr><tr><td rowspan="1" colspan="1">C12···C16</td><td rowspan="1" colspan="1">2.459 (4)</td><td rowspan="1" colspan="1">H7B···C6</td><td rowspan="1" colspan="1">2.9700</td></tr><tr><td rowspan="1" colspan="1">C12···C2</td><td rowspan="1" colspan="1">3.571 (4)</td><td rowspan="1" colspan="1">H7B···C45<sup>i</sup></td><td rowspan="1" colspan="1">2.8300</td></tr><tr><td rowspan="1" colspan="1">C13···C15</td><td rowspan="1" colspan="1">2.454 (4)</td><td rowspan="1" colspan="1">H7B···H6C</td><td rowspan="1" colspan="1">2.5200</td></tr><tr><td rowspan="1" colspan="1">C13···C3</td><td rowspan="1" colspan="1">3.543 (4)</td><td rowspan="1" colspan="1">H7C···C8</td><td rowspan="1" colspan="1">2.8500</td></tr><tr><td rowspan="1" colspan="1">C13···C16</td><td rowspan="1" colspan="1">2.838 (4)</td><td rowspan="1" colspan="1">H7C···H8A</td><td rowspan="1" colspan="1">2.4500</td></tr><tr><td rowspan="1" colspan="1">C13···C27<sup>ii</sup></td><td rowspan="1" colspan="1">3.504 (4)</td><td rowspan="1" colspan="1">H8A···C37<sup>ii</sup></td><td rowspan="1" colspan="1">2.7800</td></tr><tr><td rowspan="1" colspan="1">C13···C11</td><td rowspan="1" colspan="1">2.460 (4)</td><td rowspan="1" colspan="1">H8A···H7C</td><td rowspan="1" colspan="1">2.4500</td></tr><tr><td rowspan="1" colspan="1">C14···C11</td><td rowspan="1" colspan="1">2.828 (4)</td><td rowspan="1" colspan="1">H8A···C7</td><td rowspan="1" colspan="1">3.0500</td></tr><tr><td rowspan="1" colspan="1">C14···C12</td><td rowspan="1" colspan="1">2.428 (5)</td><td rowspan="1" colspan="1">H8A···C38<sup>ii</sup></td><td rowspan="1" colspan="1">2.8000</td></tr><tr><td rowspan="1" colspan="1">C14···C4</td><td rowspan="1" colspan="1">3.519 (4)</td><td rowspan="1" colspan="1">H8B···H9C</td><td rowspan="1" colspan="1">2.1900</td></tr><tr><td rowspan="1" colspan="1">C14···C16</td><td rowspan="1" colspan="1">2.454 (4)</td><td rowspan="1" colspan="1">H8B···C9</td><td rowspan="1" colspan="1">2.7100</td></tr><tr><td rowspan="1" colspan="1">C15···C4</td><td rowspan="1" colspan="1">3.592 (4)</td><td rowspan="1" colspan="1">H8C···C25<sup>ii</sup></td><td rowspan="1" colspan="1">2.9400</td></tr><tr><td rowspan="1" colspan="1">C15···C11</td><td rowspan="1" colspan="1">2.463 (3)</td><td rowspan="1" colspan="1">H9B···H10B</td><td rowspan="1" colspan="1">2.2500</td></tr><tr><td rowspan="1" colspan="1">C15···C5</td><td rowspan="1" colspan="1">3.545 (4)</td><td rowspan="1" colspan="1">H9B···C10</td><td rowspan="1" colspan="1">2.8900</td></tr><tr><td rowspan="1" colspan="1">C15···C13</td><td rowspan="1" colspan="1">2.454 (4)</td><td rowspan="1" colspan="1">H9C···C8</td><td rowspan="1" colspan="1">2.8400</td></tr><tr><td rowspan="1" colspan="1">C15···C12</td><td rowspan="1" colspan="1">2.831 (4)</td><td rowspan="1" colspan="1">H9C···H8B</td><td rowspan="1" colspan="1">2.1900</td></tr><tr><td rowspan="1" colspan="1">C16···C17</td><td rowspan="1" colspan="1">2.575 (3)</td><td rowspan="1" colspan="1">H10A···C6</td><td rowspan="1" colspan="1">3.0300</td></tr><tr><td rowspan="1" colspan="1">C16···C19</td><td rowspan="1" colspan="1">3.121 (4)</td><td rowspan="1" colspan="1">H10A···H6A</td><td rowspan="1" colspan="1">2.4200</td></tr><tr><td rowspan="1" colspan="1">C16···C12</td><td rowspan="1" colspan="1">2.459 (4)</td><td rowspan="1" colspan="1">H10A···H6C<sup>v</sup></td><td rowspan="1" colspan="1">2.5600</td></tr><tr><td rowspan="1" colspan="1">C16···C13</td><td rowspan="1" colspan="1">2.838 (4)</td><td rowspan="1" colspan="1">H10B···C44<sup>vi</sup></td><td rowspan="1" colspan="1">2.9300</td></tr><tr><td rowspan="1" colspan="1">C16···C5</td><td rowspan="1" colspan="1">3.556 (4)</td><td rowspan="1" colspan="1">H10B···H44<sup>vi</sup></td><td rowspan="1" colspan="1">2.6000</td></tr><tr><td rowspan="1" colspan="1">C16···C14</td><td rowspan="1" colspan="1">2.454 (4)</td><td rowspan="1" colspan="1">H10B···H9B</td><td rowspan="1" colspan="1">2.2500</td></tr><tr><td rowspan="1" colspan="1">C19···C16</td><td rowspan="1" colspan="1">3.121 (4)</td><td rowspan="1" colspan="1">H10B···C9</td><td rowspan="1" colspan="1">2.8200</td></tr><tr><td rowspan="1" colspan="1">C25···C41</td><td rowspan="1" colspan="1">3.229 (4)</td><td rowspan="1" colspan="1">H12···H35<sup>ii</sup></td><td rowspan="1" colspan="1">2.6000</td></tr><tr><td rowspan="1" colspan="1">C27···C13<sup>iii</sup></td><td rowspan="1" colspan="1">3.504 (4)</td><td rowspan="1" colspan="1">H12···C21<sup>viii</sup></td><td rowspan="1" colspan="1">3.0300</td></tr><tr><td rowspan="1" colspan="1">C28···C10</td><td rowspan="1" colspan="1">3.563 (5)</td><td rowspan="1" colspan="1">H12···O1</td><td rowspan="1" colspan="1">2.5600</td></tr><tr><td rowspan="1" colspan="1">C29···C35</td><td rowspan="1" colspan="1">3.204 (4)</td><td rowspan="1" colspan="1">H13···C27<sup>ii</sup></td><td rowspan="1" colspan="1">2.7500</td></tr><tr><td rowspan="1" colspan="1">C29···C43</td><td rowspan="1" colspan="1">3.352 (4)</td><td rowspan="1" colspan="1">H13···C28<sup>ii</sup></td><td rowspan="1" colspan="1">2.8200</td></tr><tr><td rowspan="1" colspan="1">C31···C37</td><td rowspan="1" colspan="1">3.562 (4)</td><td rowspan="1" colspan="1">H13···C25<sup>ii</sup></td><td rowspan="1" colspan="1">3.0100</td></tr><tr><td rowspan="1" colspan="1">C35···C29</td><td rowspan="1" colspan="1">3.204 (4)</td><td rowspan="1" colspan="1">H13···C26<sup>ii</sup></td><td rowspan="1" colspan="1">2.8400</td></tr><tr><td rowspan="1" colspan="1">C35···C37</td><td rowspan="1" colspan="1">3.502 (4)</td><td rowspan="1" colspan="1">H13···C29<sup>ii</sup></td><td rowspan="1" colspan="1">3.0000</td></tr><tr><td rowspan="1" colspan="1">C37···C35</td><td rowspan="1" colspan="1">3.502 (4)</td><td rowspan="1" colspan="1">H15···C46</td><td rowspan="1" colspan="1">2.9400</td></tr><tr><td rowspan="1" colspan="1">C37···C8<sup>iii</sup></td><td rowspan="1" colspan="1">3.467 (5)</td><td rowspan="1" colspan="1">H15···C43</td><td rowspan="1" colspan="1">2.9500</td></tr><tr><td rowspan="1" colspan="1">C37···C31</td><td rowspan="1" colspan="1">3.562 (4)</td><td rowspan="1" colspan="1">H15···C47</td><td rowspan="1" colspan="1">2.9200</td></tr><tr><td rowspan="1" colspan="1">C41···C47</td><td rowspan="1" colspan="1">3.200 (4)</td><td rowspan="1" colspan="1">H15···C42</td><td rowspan="1" colspan="1">2.9400</td></tr><tr><td rowspan="1" colspan="1">C41···C25</td><td rowspan="1" colspan="1">3.229 (4)</td><td rowspan="1" colspan="1">H15···C44</td><td rowspan="1" colspan="1">2.9900</td></tr><tr><td rowspan="1" colspan="1">C43···C29</td><td rowspan="1" colspan="1">3.352 (4)</td><td rowspan="1" colspan="1">H15···C45</td><td rowspan="1" colspan="1">2.9800</td></tr><tr><td rowspan="1" colspan="1">C45···C7<sup>iv</sup></td><td rowspan="1" colspan="1">3.495 (5)</td><td rowspan="1" colspan="1">H16···C25</td><td rowspan="1" colspan="1">2.9900</td></tr><tr><td rowspan="1" colspan="1">C47···C41</td><td rowspan="1" colspan="1">3.200 (4)</td><td rowspan="1" colspan="1">H16···C19</td><td rowspan="1" colspan="1">2.6900</td></tr><tr><td rowspan="1" colspan="1">C5···H6C<sup>v</sup></td><td rowspan="1" colspan="1">3.0800</td><td rowspan="1" colspan="1">H16···C18</td><td rowspan="1" colspan="1">2.8500</td></tr><tr><td rowspan="1" colspan="1">C6···H7B</td><td rowspan="1" colspan="1">2.9700</td><td rowspan="1" colspan="1">H16···H19</td><td rowspan="1" colspan="1">2.3800</td></tr><tr><td rowspan="1" colspan="1">C6···H10A</td><td rowspan="1" colspan="1">3.0300</td><td rowspan="1" colspan="1">H16···H41</td><td rowspan="1" colspan="1">2.6000</td></tr><tr><td rowspan="1" colspan="1">C7···H6C</td><td rowspan="1" colspan="1">3.0300</td><td rowspan="1" colspan="1">H19···C11</td><td rowspan="1" colspan="1">2.7500</td></tr><tr><td rowspan="1" colspan="1">C7···H8A</td><td rowspan="1" colspan="1">3.0500</td><td rowspan="1" colspan="1">H19···C16</td><td rowspan="1" colspan="1">2.6600</td></tr><tr><td rowspan="1" colspan="1">C8···H9C</td><td rowspan="1" colspan="1">2.8400</td><td rowspan="1" colspan="1">H19···H16</td><td rowspan="1" colspan="1">2.3800</td></tr><tr><td rowspan="1" colspan="1">C8···H7C</td><td rowspan="1" colspan="1">2.8500</td><td rowspan="1" colspan="1">H23···O1</td><td rowspan="1" colspan="1">2.5700</td></tr><tr><td rowspan="1" colspan="1">C9···H8B</td><td rowspan="1" colspan="1">2.7100</td><td rowspan="1" colspan="1">H23···C31<sup>i</sup></td><td rowspan="1" colspan="1">3.0700</td></tr><tr><td rowspan="1" colspan="1">C9···H10B</td><td rowspan="1" colspan="1">2.8200</td><td rowspan="1" colspan="1">H25···C36</td><td rowspan="1" colspan="1">2.7500</td></tr><tr><td rowspan="1" colspan="1">C9···H29<sup>vi</sup></td><td rowspan="1" colspan="1">3.0800</td><td rowspan="1" colspan="1">H25···C41</td><td rowspan="1" colspan="1">2.5400</td></tr><tr><td rowspan="1" colspan="1">C10···H9B</td><td rowspan="1" colspan="1">2.8900</td><td rowspan="1" colspan="1">H25···H41</td><td rowspan="1" colspan="1">2.2300</td></tr><tr><td rowspan="1" colspan="1">C10···H6C<sup>v</sup></td><td rowspan="1" colspan="1">3.0700</td><td rowspan="1" colspan="1">H29···C30</td><td rowspan="1" colspan="1">2.7700</td></tr><tr><td rowspan="1" colspan="1">C10···H6A</td><td rowspan="1" colspan="1">2.7900</td><td rowspan="1" colspan="1">H29···C35</td><td rowspan="1" colspan="1">2.9000</td></tr><tr><td rowspan="1" colspan="1">C11···H19</td><td rowspan="1" colspan="1">2.7500</td><td rowspan="1" colspan="1">H29···H43</td><td rowspan="1" colspan="1">2.4100</td></tr><tr><td rowspan="1" colspan="1">C11···H16</td><td rowspan="1" colspan="1">2.0700</td><td rowspan="1" colspan="1">H29···C9<sup>vi</sup></td><td rowspan="1" colspan="1">3.0800</td></tr><tr><td rowspan="1" colspan="1">C11···H12</td><td rowspan="1" colspan="1">2.0800</td><td rowspan="1" colspan="1">H31···C42</td><td rowspan="1" colspan="1">2.6600</td></tr><tr><td rowspan="1" colspan="1">C12···H13</td><td rowspan="1" colspan="1">2.0600</td><td rowspan="1" colspan="1">H31···C47</td><td rowspan="1" colspan="1">2.9600</td></tr><tr><td rowspan="1" colspan="1">C13···H12</td><td rowspan="1" colspan="1">2.0600</td><td rowspan="1" colspan="1">H34···H46<sup>ix</sup></td><td rowspan="1" colspan="1">2.4600</td></tr><tr><td rowspan="1" colspan="1">C13···H14</td><td rowspan="1" colspan="1">2.0500</td><td rowspan="1" colspan="1">H35···C24</td><td rowspan="1" colspan="1">2.7300</td></tr><tr><td rowspan="1" colspan="1">C14···H39<sup>vii</sup></td><td rowspan="1" colspan="1">2.9300</td><td rowspan="1" colspan="1">H35···C29</td><td rowspan="1" colspan="1">2.8400</td></tr><tr><td rowspan="1" colspan="1">C14···H13</td><td rowspan="1" colspan="1">2.0600</td><td rowspan="1" colspan="1">H35···H12<sup>iii</sup></td><td rowspan="1" colspan="1">2.6000</td></tr><tr><td rowspan="1" colspan="1">C14···H15</td><td rowspan="1" colspan="1">2.0800</td><td rowspan="1" colspan="1">H37···C30</td><td rowspan="1" colspan="1">2.5500</td></tr><tr><td rowspan="1" colspan="1">C15···H16</td><td rowspan="1" colspan="1">2.0800</td><td rowspan="1" colspan="1">H37···C31</td><td rowspan="1" colspan="1">2.9900</td></tr><tr><td rowspan="1" colspan="1">C15···H14</td><td rowspan="1" colspan="1">2.0800</td><td rowspan="1" colspan="1">H37···C35</td><td rowspan="1" colspan="1">2.9100</td></tr><tr><td rowspan="1" colspan="1">C15···H39<sup>vii</sup></td><td rowspan="1" colspan="1">2.9700</td><td rowspan="1" colspan="1">H39···C14<sup>vii</sup></td><td rowspan="1" colspan="1">2.9300</td></tr><tr><td rowspan="1" colspan="1">C16···H19</td><td rowspan="1" colspan="1">2.6600</td><td rowspan="1" colspan="1">H39···C15<sup>vii</sup></td><td rowspan="1" colspan="1">2.9700</td></tr><tr><td rowspan="1" colspan="1">C16···H15</td><td rowspan="1" colspan="1">2.0800</td><td rowspan="1" colspan="1">H41···C25</td><td rowspan="1" colspan="1">2.9000</td></tr><tr><td rowspan="1" colspan="1">C17···H6B</td><td rowspan="1" colspan="1">2.7500</td><td rowspan="1" colspan="1">H41···C42</td><td rowspan="1" colspan="1">3.0100</td></tr><tr><td rowspan="1" colspan="1">C18···H16</td><td rowspan="1" colspan="1">2.8500</td><td rowspan="1" colspan="1">H41···C47</td><td rowspan="1" colspan="1">3.0800</td></tr><tr><td rowspan="1" colspan="1">C19···H16</td><td rowspan="1" colspan="1">2.6900</td><td rowspan="1" colspan="1">H41···H16</td><td rowspan="1" colspan="1">2.6000</td></tr><tr><td rowspan="1" colspan="1">C21···H12<sup>viii</sup></td><td rowspan="1" colspan="1">3.0300</td><td rowspan="1" colspan="1">H41···H25</td><td rowspan="1" colspan="1">2.2300</td></tr><tr><td rowspan="1" colspan="1">C24···H35</td><td rowspan="1" colspan="1">2.7300</td><td rowspan="1" colspan="1">H43···C24</td><td rowspan="1" colspan="1">2.8500</td></tr><tr><td rowspan="1" colspan="1">C24···H43</td><td rowspan="1" colspan="1">2.8500</td><td rowspan="1" colspan="1">H43···C29</td><td rowspan="1" colspan="1">2.6800</td></tr><tr><td rowspan="1" colspan="1">C25···H8C<sup>iii</sup></td><td rowspan="1" colspan="1">2.9400</td><td rowspan="1" colspan="1">H43···H29</td><td rowspan="1" colspan="1">2.4100</td></tr><tr><td rowspan="1" colspan="1">C25···H13<sup>iii</sup></td><td rowspan="1" colspan="1">3.0100</td><td rowspan="1" colspan="1">H44···H10B<sup>vi</sup></td><td rowspan="1" colspan="1">2.6000</td></tr><tr><td rowspan="1" colspan="1">C25···H41</td><td rowspan="1" colspan="1">2.9000</td><td rowspan="1" colspan="1">H46···H34<sup>x</sup></td><td rowspan="1" colspan="1">2.4600</td></tr><tr><td rowspan="1" colspan="1">C25···H16</td><td rowspan="1" colspan="1">2.9900</td><td rowspan="1" colspan="1">H47···C36</td><td rowspan="1" colspan="1">2.5700</td></tr><tr><td rowspan="1" colspan="1">C26···H13<sup>iii</sup></td><td rowspan="1" colspan="1">2.8400</td><td rowspan="1" colspan="1">H47···C41</td><td rowspan="1" colspan="1">2.7200</td></tr><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C2</td><td rowspan="1" colspan="1">38.67 (12)</td><td rowspan="1" colspan="1">C2—C7—H7C</td><td rowspan="1" colspan="1">110.00</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C3</td><td rowspan="1" colspan="1">64.34 (10)</td><td rowspan="1" colspan="1">H7A—C7—H7B</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C4</td><td rowspan="1" colspan="1">63.96 (11)</td><td rowspan="1" colspan="1">H7A—C7—H7C</td><td rowspan="1" colspan="1">108.00</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C5</td><td rowspan="1" colspan="1">38.25 (13)</td><td rowspan="1" colspan="1">H7B—C7—H7C</td><td rowspan="1" colspan="1">107.00</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C11</td><td rowspan="1" colspan="1">108.37 (10)</td><td rowspan="1" colspan="1">C3—C8—H8A</td><td rowspan="1" colspan="1">112.00</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C12</td><td rowspan="1" colspan="1">125.61 (12)</td><td rowspan="1" colspan="1">C3—C8—H8B</td><td rowspan="1" colspan="1">110.00</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C13</td><td rowspan="1" colspan="1">155.02 (13)</td><td rowspan="1" colspan="1">C3—C8—H8C</td><td rowspan="1" colspan="1">111.00</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C14</td><td rowspan="1" colspan="1">167.46 (12)</td><td rowspan="1" colspan="1">H8A—C8—H8B</td><td rowspan="1" colspan="1">108.00</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C15</td><td rowspan="1" colspan="1">135.40 (12)</td><td rowspan="1" colspan="1">H8A—C8—H8C</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C16</td><td rowspan="1" colspan="1">112.23 (10)</td><td rowspan="1" colspan="1">H8B—C8—H8C</td><td rowspan="1" colspan="1">107.00</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C3</td><td rowspan="1" colspan="1">38.06 (10)</td><td rowspan="1" colspan="1">C4—C9—H9A</td><td rowspan="1" colspan="1">110.00</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C4</td><td rowspan="1" colspan="1">63.49 (9)</td><td rowspan="1" colspan="1">C4—C9—H9B</td><td rowspan="1" colspan="1">111.00</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C5</td><td rowspan="1" colspan="1">64.03 (11)</td><td rowspan="1" colspan="1">C4—C9—H9C</td><td rowspan="1" colspan="1">111.00</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C11</td><td rowspan="1" colspan="1">117.84 (9)</td><td rowspan="1" colspan="1">H9A—C9—H9B</td><td rowspan="1" colspan="1">108.00</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C12</td><td rowspan="1" colspan="1">108.37 (11)</td><td rowspan="1" colspan="1">H9A—C9—H9C</td><td rowspan="1" colspan="1">108.00</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C13</td><td rowspan="1" colspan="1">119.78 (12)</td><td rowspan="1" colspan="1">H9B—C9—H9C</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C14</td><td rowspan="1" colspan="1">146.56 (12)</td><td rowspan="1" colspan="1">C5—C10—H10A</td><td rowspan="1" colspan="1">111.00</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C15</td><td rowspan="1" colspan="1">172.00 (10)</td><td rowspan="1" colspan="1">C5—C10—H10B</td><td rowspan="1" colspan="1">110.00</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C16</td><td rowspan="1" colspan="1">143.45 (10)</td><td rowspan="1" colspan="1">C5—C10—H10C</td><td rowspan="1" colspan="1">111.00</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C4</td><td rowspan="1" colspan="1">37.87 (10)</td><td rowspan="1" colspan="1">H10A—C10—H10B</td><td rowspan="1" colspan="1">108.00</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C5</td><td rowspan="1" colspan="1">63.99 (10)</td><td rowspan="1" colspan="1">H10A—C10—H10C</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C11</td><td rowspan="1" colspan="1">150.40 (9)</td><td rowspan="1" colspan="1">H10B—C10—H10C</td><td rowspan="1" colspan="1">108.00</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C12</td><td rowspan="1" colspan="1">121.10 (11)</td><td rowspan="1" colspan="1">Ru—C12—H12</td><td rowspan="1" colspan="1">129.00</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C13</td><td rowspan="1" colspan="1">106.72 (11)</td><td rowspan="1" colspan="1">C11—C12—H12</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C14</td><td rowspan="1" colspan="1">113.97 (11)</td><td rowspan="1" colspan="1">C13—C12—H12</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C15</td><td rowspan="1" colspan="1">138.96 (10)</td><td rowspan="1" colspan="1">Ru—C13—H13</td><td rowspan="1" colspan="1">130.00</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C16</td><td rowspan="1" colspan="1">171.48 (10)</td><td rowspan="1" colspan="1">C12—C13—H13</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C5</td><td rowspan="1" colspan="1">38.22 (11)</td><td rowspan="1" colspan="1">C14—C13—H13</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C11</td><td rowspan="1" colspan="1">167.09 (11)</td><td rowspan="1" colspan="1">Ru—C14—H14</td><td rowspan="1" colspan="1">130.00</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C12</td><td rowspan="1" colspan="1">155.35 (11)</td><td rowspan="1" colspan="1">C13—C14—H14</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C13</td><td rowspan="1" colspan="1">124.47 (11)</td><td rowspan="1" colspan="1">C15—C14—H14</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C14</td><td rowspan="1" colspan="1">106.59 (11)</td><td rowspan="1" colspan="1">Ru—C15—H15</td><td rowspan="1" colspan="1">129.00</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C15</td><td rowspan="1" colspan="1">109.90 (9)</td><td rowspan="1" colspan="1">C14—C15—H15</td><td rowspan="1" colspan="1">121.00</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C16</td><td rowspan="1" colspan="1">133.76 (10)</td><td rowspan="1" colspan="1">C16—C15—H15</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C11</td><td rowspan="1" colspan="1">129.39 (11)</td><td rowspan="1" colspan="1">Ru—C16—H16</td><td rowspan="1" colspan="1">129.00</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C12</td><td rowspan="1" colspan="1">162.06 (12)</td><td rowspan="1" colspan="1">C11—C16—H16</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C13</td><td rowspan="1" colspan="1">161.18 (12)</td><td rowspan="1" colspan="1">C15—C16—H16</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C14</td><td rowspan="1" colspan="1">129.25 (13)</td><td rowspan="1" colspan="1">C18—C19—H19</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C15</td><td rowspan="1" colspan="1">108.03 (12)</td><td rowspan="1" colspan="1">C20—C19—H19</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C16</td><td rowspan="1" colspan="1">108.26 (10)</td><td rowspan="1" colspan="1">C19—C20—H20</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C12</td><td rowspan="1" colspan="1">37.53 (11)</td><td rowspan="1" colspan="1">C21—C20—H20</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C13</td><td rowspan="1" colspan="1">67.07 (11)</td><td rowspan="1" colspan="1">C20—C21—H21</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C14</td><td rowspan="1" colspan="1">79.23 (11)</td><td rowspan="1" colspan="1">C22—C21—H21</td><td rowspan="1" colspan="1">121.00</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C15</td><td rowspan="1" colspan="1">67.49 (9)</td><td rowspan="1" colspan="1">C21—C22—H22</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C16</td><td rowspan="1" colspan="1">37.21 (9)</td><td rowspan="1" colspan="1">C23—C22—H22</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C13</td><td rowspan="1" colspan="1">36.73 (12)</td><td rowspan="1" colspan="1">C18—C23—H23</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C14</td><td rowspan="1" colspan="1">66.49 (12)</td><td rowspan="1" colspan="1">C22—C23—H23</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C15</td><td rowspan="1" colspan="1">79.52 (11)</td><td rowspan="1" colspan="1">C25—C24—C29</td><td rowspan="1" colspan="1">114.5 (2)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C16</td><td rowspan="1" colspan="1">67.38 (11)</td><td rowspan="1" colspan="1">C25—C24—B</td><td rowspan="1" colspan="1">124.2 (2)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C14</td><td rowspan="1" colspan="1">36.96 (13)</td><td rowspan="1" colspan="1">C29—C24—B</td><td rowspan="1" colspan="1">121.4 (2)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C15</td><td rowspan="1" colspan="1">67.32 (12)</td><td rowspan="1" colspan="1">C24—C25—C26</td><td rowspan="1" colspan="1">121.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C16</td><td rowspan="1" colspan="1">79.60 (11)</td><td rowspan="1" colspan="1">C25—C26—C27</td><td rowspan="1" colspan="1">120.8 (2)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C15</td><td rowspan="1" colspan="1">37.46 (12)</td><td rowspan="1" colspan="1">C26—C27—C28</td><td rowspan="1" colspan="1">119.3 (2)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C16</td><td rowspan="1" colspan="1">67.53 (11)</td><td rowspan="1" colspan="1">C27—C28—C29</td><td rowspan="1" colspan="1">120.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C16</td><td rowspan="1" colspan="1">37.76 (10)</td><td rowspan="1" colspan="1">C24—C29—C28</td><td rowspan="1" colspan="1">123.5 (2)</td></tr><tr><td rowspan="1" colspan="1">Ru—C1—C2</td><td rowspan="1" colspan="1">71.27 (16)</td><td rowspan="1" colspan="1">C31—C30—C35</td><td rowspan="1" colspan="1">114.6 (2)</td></tr><tr><td rowspan="1" colspan="1">Ru—C1—C5</td><td rowspan="1" colspan="1">71.42 (17)</td><td rowspan="1" colspan="1">C31—C30—B</td><td rowspan="1" colspan="1">123.2 (2)</td></tr><tr><td rowspan="1" colspan="1">Ru—C1—C6</td><td rowspan="1" colspan="1">124.4 (2)</td><td rowspan="1" colspan="1">C35—C30—B</td><td rowspan="1" colspan="1">122.0 (2)</td></tr><tr><td rowspan="1" colspan="1">C2—C1—C5</td><td rowspan="1" colspan="1">107.7 (3)</td><td rowspan="1" colspan="1">C30—C31—C32</td><td rowspan="1" colspan="1">122.7 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C1—C6</td><td rowspan="1" colspan="1">126.6 (3)</td><td rowspan="1" colspan="1">C31—C32—C33</td><td rowspan="1" colspan="1">121.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—C1—C6</td><td rowspan="1" colspan="1">125.7 (3)</td><td rowspan="1" colspan="1">C32—C33—C34</td><td rowspan="1" colspan="1">118.7 (3)</td></tr><tr><td rowspan="1" colspan="1">Ru—C2—C1</td><td rowspan="1" colspan="1">70.06 (16)</td><td rowspan="1" colspan="1">C33—C34—C35</td><td rowspan="1" colspan="1">120.0 (3)</td></tr><tr><td rowspan="1" colspan="1">Ru—C2—C3</td><td rowspan="1" colspan="1">71.40 (14)</td><td rowspan="1" colspan="1">C30—C35—C34</td><td rowspan="1" colspan="1">123.1 (2)</td></tr><tr><td rowspan="1" colspan="1">Ru—C2—C7</td><td rowspan="1" colspan="1">126.7 (2)</td><td rowspan="1" colspan="1">C37—C36—C41</td><td rowspan="1" colspan="1">114.3 (2)</td></tr><tr><td rowspan="1" colspan="1">C1—C2—C3</td><td rowspan="1" colspan="1">108.1 (2)</td><td rowspan="1" colspan="1">C37—C36—B</td><td rowspan="1" colspan="1">123.5 (2)</td></tr><tr><td rowspan="1" colspan="1">C1—C2—C7</td><td rowspan="1" colspan="1">126.1 (3)</td><td rowspan="1" colspan="1">C41—C36—B</td><td rowspan="1" colspan="1">122.0 (2)</td></tr><tr><td rowspan="1" colspan="1">C3—C2—C7</td><td rowspan="1" colspan="1">125.7 (3)</td><td rowspan="1" colspan="1">C36—C37—C38</td><td rowspan="1" colspan="1">122.2 (3)</td></tr><tr><td rowspan="1" colspan="1">Ru—C3—C2</td><td rowspan="1" colspan="1">70.55 (15)</td><td rowspan="1" colspan="1">C37—C38—C39</td><td rowspan="1" colspan="1">120.6 (3)</td></tr><tr><td rowspan="1" colspan="1">Ru—C3—C4</td><td rowspan="1" colspan="1">70.82 (15)</td><td rowspan="1" colspan="1">C38—C39—C40</td><td rowspan="1" colspan="1">119.3 (3)</td></tr><tr><td rowspan="1" colspan="1">Ru—C3—C8</td><td rowspan="1" colspan="1">126.0 (2)</td><td rowspan="1" colspan="1">C39—C40—C41</td><td rowspan="1" colspan="1">119.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4</td><td rowspan="1" colspan="1">107.6 (2)</td><td rowspan="1" colspan="1">C36—C41—C40</td><td rowspan="1" colspan="1">123.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C8</td><td rowspan="1" colspan="1">127.1 (3)</td><td rowspan="1" colspan="1">C43—C42—C47</td><td rowspan="1" colspan="1">114.5 (2)</td></tr><tr><td rowspan="1" colspan="1">C4—C3—C8</td><td rowspan="1" colspan="1">125.3 (3)</td><td rowspan="1" colspan="1">C43—C42—B</td><td rowspan="1" colspan="1">123.0 (2)</td></tr><tr><td rowspan="1" colspan="1">Ru—C4—C3</td><td rowspan="1" colspan="1">71.31 (15)</td><td rowspan="1" colspan="1">C47—C42—B</td><td rowspan="1" colspan="1">122.4 (2)</td></tr><tr><td rowspan="1" colspan="1">Ru—C4—C5</td><td rowspan="1" colspan="1">70.64 (15)</td><td rowspan="1" colspan="1">C42—C43—C44</td><td rowspan="1" colspan="1">122.9 (2)</td></tr><tr><td rowspan="1" colspan="1">Ru—C4—C9</td><td rowspan="1" colspan="1">126.30 (19)</td><td rowspan="1" colspan="1">C43—C44—C45</td><td rowspan="1" colspan="1">120.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5</td><td rowspan="1" colspan="1">108.7 (2)</td><td rowspan="1" colspan="1">C44—C45—C46</td><td rowspan="1" colspan="1">119.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C9</td><td rowspan="1" colspan="1">124.5 (3)</td><td rowspan="1" colspan="1">C45—C46—C47</td><td rowspan="1" colspan="1">120.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—C4—C9</td><td rowspan="1" colspan="1">126.7 (3)</td><td rowspan="1" colspan="1">C42—C47—C46</td><td rowspan="1" colspan="1">123.0 (3)</td></tr><tr><td rowspan="1" colspan="1">Ru—C5—C1</td><td rowspan="1" colspan="1">70.33 (16)</td><td rowspan="1" colspan="1">C26—C25—H25</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C5—C4</td><td rowspan="1" colspan="1">71.14 (15)</td><td rowspan="1" colspan="1">C24—C25—H25</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C5—C10</td><td rowspan="1" colspan="1">125.5 (2)</td><td rowspan="1" colspan="1">C25—C26—H26</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">C1—C5—C4</td><td rowspan="1" colspan="1">107.8 (3)</td><td rowspan="1" colspan="1">C27—C26—H26</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C1—C5—C10</td><td rowspan="1" colspan="1">126.0 (3)</td><td rowspan="1" colspan="1">C28—C27—H27</td><td rowspan="1" colspan="1">121.00</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C10</td><td rowspan="1" colspan="1">126.2 (3)</td><td rowspan="1" colspan="1">C26—C27—H27</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C11—C12</td><td rowspan="1" colspan="1">71.00 (16)</td><td rowspan="1" colspan="1">C27—C28—H28</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C11—C16</td><td rowspan="1" colspan="1">70.62 (15)</td><td rowspan="1" colspan="1">C29—C28—H28</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C11—C17</td><td rowspan="1" colspan="1">126.44 (17)</td><td rowspan="1" colspan="1">C24—C29—H29</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C12—C11—C16</td><td rowspan="1" colspan="1">119.3 (2)</td><td rowspan="1" colspan="1">C28—C29—H29</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C12—C11—C17</td><td rowspan="1" colspan="1">117.4 (2)</td><td rowspan="1" colspan="1">C32—C31—H31</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">C16—C11—C17</td><td rowspan="1" colspan="1">123.1 (3)</td><td rowspan="1" colspan="1">C30—C31—H31</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C12—C11</td><td rowspan="1" colspan="1">71.47 (16)</td><td rowspan="1" colspan="1">C31—C32—H32</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C12—C13</td><td rowspan="1" colspan="1">71.64 (18)</td><td rowspan="1" colspan="1">C33—C32—H32</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">C11—C12—C13</td><td rowspan="1" colspan="1">120.5 (3)</td><td rowspan="1" colspan="1">C32—C33—H33</td><td rowspan="1" colspan="1">121.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C13—C12</td><td rowspan="1" colspan="1">71.63 (18)</td><td rowspan="1" colspan="1">C34—C33—H33</td><td rowspan="1" colspan="1">121.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C13—C14</td><td rowspan="1" colspan="1">70.76 (18)</td><td rowspan="1" colspan="1">C35—C34—H34</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C12—C13—C14</td><td rowspan="1" colspan="1">119.9 (3)</td><td rowspan="1" colspan="1">C33—C34—H34</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C14—C13</td><td rowspan="1" colspan="1">72.28 (19)</td><td rowspan="1" colspan="1">C30—C35—H35</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C14—C15</td><td rowspan="1" colspan="1">71.22 (17)</td><td rowspan="1" colspan="1">C34—C35—H35</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C13—C14—C15</td><td rowspan="1" colspan="1">121.0 (3)</td><td rowspan="1" colspan="1">C36—C37—H37</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C15—C14</td><td rowspan="1" colspan="1">71.33 (18)</td><td rowspan="1" colspan="1">C38—C37—H37</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C15—C16</td><td rowspan="1" colspan="1">71.39 (14)</td><td rowspan="1" colspan="1">C39—C38—H38</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C14—C15—C16</td><td rowspan="1" colspan="1">119.3 (2)</td><td rowspan="1" colspan="1">C37—C38—H38</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C16—C11</td><td rowspan="1" colspan="1">72.17 (15)</td><td rowspan="1" colspan="1">C38—C39—H39</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">Ru—C16—C15</td><td rowspan="1" colspan="1">70.86 (15)</td><td rowspan="1" colspan="1">C40—C39—H39</td><td rowspan="1" colspan="1">121.00</td></tr><tr><td rowspan="1" colspan="1">C11—C16—C15</td><td rowspan="1" colspan="1">119.9 (2)</td><td rowspan="1" colspan="1">C41—C40—H40</td><td rowspan="1" colspan="1">121.00</td></tr><tr><td rowspan="1" colspan="1">O1—C17—C11</td><td rowspan="1" colspan="1">118.7 (3)</td><td rowspan="1" colspan="1">C39—C40—H40</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">O1—C17—C18</td><td rowspan="1" colspan="1">121.2 (3)</td><td rowspan="1" colspan="1">C36—C41—H41</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C11—C17—C18</td><td rowspan="1" colspan="1">120.0 (2)</td><td rowspan="1" colspan="1">C40—C41—H41</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C17—C18—C19</td><td rowspan="1" colspan="1">122.6 (3)</td><td rowspan="1" colspan="1">C42—C43—H43</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">C17—C18—C23</td><td rowspan="1" colspan="1">118.5 (3)</td><td rowspan="1" colspan="1">C44—C43—H43</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C19—C18—C23</td><td rowspan="1" colspan="1">118.9 (3)</td><td rowspan="1" colspan="1">C45—C44—H44</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C18—C19—C20</td><td rowspan="1" colspan="1">120.1 (3)</td><td rowspan="1" colspan="1">C43—C44—H44</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C19—C20—C21</td><td rowspan="1" colspan="1">120.1 (3)</td><td rowspan="1" colspan="1">C44—C45—H45</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C20—C21—C22</td><td rowspan="1" colspan="1">119.9 (4)</td><td rowspan="1" colspan="1">C46—C45—H45</td><td rowspan="1" colspan="1">121.00</td></tr><tr><td rowspan="1" colspan="1">C21—C22—C23</td><td rowspan="1" colspan="1">121.2 (4)</td><td rowspan="1" colspan="1">C45—C46—H46</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">C18—C23—C22</td><td rowspan="1" colspan="1">119.8 (4)</td><td rowspan="1" colspan="1">C47—C46—H46</td><td rowspan="1" colspan="1">121.00</td></tr><tr><td rowspan="1" colspan="1">C1—C6—H6A</td><td rowspan="1" colspan="1">110.00</td><td rowspan="1" colspan="1">C46—C47—H47</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C1—C6—H6B</td><td rowspan="1" colspan="1">112.00</td><td rowspan="1" colspan="1">C42—C47—H47</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">C1—C6—H6C</td><td rowspan="1" colspan="1">111.00</td><td rowspan="1" colspan="1">C24—B—C36</td><td rowspan="1" colspan="1">112.32 (19)</td></tr><tr><td rowspan="1" colspan="1">H6A—C6—H6B</td><td rowspan="1" colspan="1">108.00</td><td rowspan="1" colspan="1">C24—B—C42</td><td rowspan="1" colspan="1">109.78 (18)</td></tr><tr><td rowspan="1" colspan="1">H6A—C6—H6C</td><td rowspan="1" colspan="1">107.00</td><td rowspan="1" colspan="1">C30—B—C42</td><td rowspan="1" colspan="1">109.23 (18)</td></tr><tr><td rowspan="1" colspan="1">H6B—C6—H6C</td><td rowspan="1" colspan="1">108.00</td><td rowspan="1" colspan="1">C36—B—C42</td><td rowspan="1" colspan="1">107.80 (19)</td></tr><tr><td rowspan="1" colspan="1">C2—C7—H7A</td><td rowspan="1" colspan="1">112.00</td><td rowspan="1" colspan="1">C30—B—C36</td><td rowspan="1" colspan="1">108.76 (19)</td></tr><tr><td rowspan="1" colspan="1">C2—C7—H7B</td><td rowspan="1" colspan="1">111.00</td><td rowspan="1" colspan="1">C24—B—C30</td><td rowspan="1" colspan="1">108.91 (19)</td></tr><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C1—C5</td><td rowspan="1" colspan="1">116.9 (2)</td><td rowspan="1" colspan="1">C3—Ru—C14—C15</td><td rowspan="1" colspan="1">−140.99 (16)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C1—C6</td><td rowspan="1" colspan="1">−122.0 (4)</td><td rowspan="1" colspan="1">C4—Ru—C14—C13</td><td rowspan="1" colspan="1">125.88 (18)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C1—C2</td><td rowspan="1" colspan="1">−37.10 (15)</td><td rowspan="1" colspan="1">C4—Ru—C14—C15</td><td rowspan="1" colspan="1">−101.24 (18)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C1—C5</td><td rowspan="1" colspan="1">79.84 (17)</td><td rowspan="1" colspan="1">C5—Ru—C14—C13</td><td rowspan="1" colspan="1">161.28 (17)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C1—C6</td><td rowspan="1" colspan="1">−159.1 (3)</td><td rowspan="1" colspan="1">C5—Ru—C14—C15</td><td rowspan="1" colspan="1">−65.9 (2)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C1—C2</td><td rowspan="1" colspan="1">−79.37 (17)</td><td rowspan="1" colspan="1">C11—Ru—C14—C13</td><td rowspan="1" colspan="1">−65.99 (18)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C1—C5</td><td rowspan="1" colspan="1">37.57 (16)</td><td rowspan="1" colspan="1">C11—Ru—C14—C15</td><td rowspan="1" colspan="1">66.89 (17)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C1—C6</td><td rowspan="1" colspan="1">158.6 (3)</td><td rowspan="1" colspan="1">C12—Ru—C14—C13</td><td rowspan="1" colspan="1">−28.89 (18)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C1—C2</td><td rowspan="1" colspan="1">−116.9 (2)</td><td rowspan="1" colspan="1">C12—Ru—C14—C15</td><td rowspan="1" colspan="1">103.99 (19)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C1—C6</td><td rowspan="1" colspan="1">121.0 (4)</td><td rowspan="1" colspan="1">C13—Ru—C14—C15</td><td rowspan="1" colspan="1">132.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C1—C2</td><td rowspan="1" colspan="1">111.87 (16)</td><td rowspan="1" colspan="1">C15—Ru—C14—C13</td><td rowspan="1" colspan="1">−132.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C1—C5</td><td rowspan="1" colspan="1">−131.20 (16)</td><td rowspan="1" colspan="1">C16—Ru—C14—C13</td><td rowspan="1" colspan="1">−102.99 (19)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C1—C6</td><td rowspan="1" colspan="1">−10.2 (3)</td><td rowspan="1" colspan="1">C16—Ru—C14—C15</td><td rowspan="1" colspan="1">29.89 (16)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C1—C2</td><td rowspan="1" colspan="1">74.06 (19)</td><td rowspan="1" colspan="1">C1—Ru—C15—C14</td><td rowspan="1" colspan="1">164.21 (18)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C1—C5</td><td rowspan="1" colspan="1">−169.01 (16)</td><td rowspan="1" colspan="1">C1—Ru—C15—C16</td><td rowspan="1" colspan="1">−64.6 (2)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C1—C6</td><td rowspan="1" colspan="1">−48.0 (3)</td><td rowspan="1" colspan="1">C3—Ru—C15—C14</td><td rowspan="1" colspan="1">61.2 (2)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C1—C2</td><td rowspan="1" colspan="1">36.9 (3)</td><td rowspan="1" colspan="1">C3—Ru—C15—C16</td><td rowspan="1" colspan="1">−167.59 (16)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C1—C5</td><td rowspan="1" colspan="1">153.8 (2)</td><td rowspan="1" colspan="1">C4—Ru—C15—C14</td><td rowspan="1" colspan="1">91.54 (19)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C1—C6</td><td rowspan="1" colspan="1">−85.1 (4)</td><td rowspan="1" colspan="1">C4—Ru—C15—C16</td><td rowspan="1" colspan="1">−137.22 (16)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C1—C2</td><td rowspan="1" colspan="1">−171.89 (15)</td><td rowspan="1" colspan="1">C5—Ru—C15—C14</td><td rowspan="1" colspan="1">132.00 (18)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C1—C5</td><td rowspan="1" colspan="1">−55.0 (2)</td><td rowspan="1" colspan="1">C5—Ru—C15—C16</td><td rowspan="1" colspan="1">−96.77 (17)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C1—C6</td><td rowspan="1" colspan="1">66.1 (3)</td><td rowspan="1" colspan="1">C11—Ru—C15—C14</td><td rowspan="1" colspan="1">−102.02 (19)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C1—C2</td><td rowspan="1" colspan="1">151.44 (15)</td><td rowspan="1" colspan="1">C11—Ru—C15—C16</td><td rowspan="1" colspan="1">29.21 (15)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C1—C5</td><td rowspan="1" colspan="1">−91.63 (17)</td><td rowspan="1" colspan="1">C12—Ru—C15—C14</td><td rowspan="1" colspan="1">−64.81 (18)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C1—C6</td><td rowspan="1" colspan="1">29.4 (3)</td><td rowspan="1" colspan="1">C12—Ru—C15—C16</td><td rowspan="1" colspan="1">66.42 (17)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C2—C3</td><td rowspan="1" colspan="1">−118.1 (2)</td><td rowspan="1" colspan="1">C13—Ru—C15—C14</td><td rowspan="1" colspan="1">−28.52 (18)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C2—C7</td><td rowspan="1" colspan="1">120.7 (4)</td><td rowspan="1" colspan="1">C13—Ru—C15—C16</td><td rowspan="1" colspan="1">102.71 (18)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C2—C1</td><td rowspan="1" colspan="1">118.1 (2)</td><td rowspan="1" colspan="1">C14—Ru—C15—C16</td><td rowspan="1" colspan="1">131.2 (2)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C2—C7</td><td rowspan="1" colspan="1">−121.2 (4)</td><td rowspan="1" colspan="1">C16—Ru—C15—C14</td><td rowspan="1" colspan="1">−131.2 (2)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C2—C1</td><td rowspan="1" colspan="1">80.68 (18)</td><td rowspan="1" colspan="1">C1—Ru—C16—C11</td><td rowspan="1" colspan="1">−91.43 (17)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C2—C3</td><td rowspan="1" colspan="1">−37.45 (16)</td><td rowspan="1" colspan="1">C1—Ru—C16—C15</td><td rowspan="1" colspan="1">136.77 (17)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C2—C7</td><td rowspan="1" colspan="1">−158.6 (4)</td><td rowspan="1" colspan="1">C2—Ru—C16—C11</td><td rowspan="1" colspan="1">−61.3 (2)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C2—C1</td><td rowspan="1" colspan="1">37.88 (17)</td><td rowspan="1" colspan="1">C2—Ru—C16—C15</td><td rowspan="1" colspan="1">166.88 (18)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C2—C3</td><td rowspan="1" colspan="1">−80.26 (17)</td><td rowspan="1" colspan="1">C4—Ru—C16—C11</td><td rowspan="1" colspan="1">−166.04 (16)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C2—C7</td><td rowspan="1" colspan="1">158.6 (4)</td><td rowspan="1" colspan="1">C4—Ru—C16—C15</td><td rowspan="1" colspan="1">62.2 (2)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C2—C1</td><td rowspan="1" colspan="1">−84.87 (18)</td><td rowspan="1" colspan="1">C5—Ru—C16—C11</td><td rowspan="1" colspan="1">−132.10 (17)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C2—C3</td><td rowspan="1" colspan="1">156.99 (15)</td><td rowspan="1" colspan="1">C5—Ru—C16—C15</td><td rowspan="1" colspan="1">96.10 (18)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C2—C7</td><td rowspan="1" colspan="1">35.8 (4)</td><td rowspan="1" colspan="1">C11—Ru—C16—C15</td><td rowspan="1" colspan="1">−131.8 (2)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C2—C1</td><td rowspan="1" colspan="1">−124.55 (17)</td><td rowspan="1" colspan="1">C12—Ru—C16—C11</td><td rowspan="1" colspan="1">29.32 (16)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C2—C3</td><td rowspan="1" colspan="1">117.32 (16)</td><td rowspan="1" colspan="1">C12—Ru—C16—C15</td><td rowspan="1" colspan="1">−102.49 (19)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C2—C7</td><td rowspan="1" colspan="1">−3.9 (4)</td><td rowspan="1" colspan="1">C13—Ru—C16—C11</td><td rowspan="1" colspan="1">65.58 (17)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C2—C1</td><td rowspan="1" colspan="1">−163.01 (17)</td><td rowspan="1" colspan="1">C13—Ru—C16—C15</td><td rowspan="1" colspan="1">−66.22 (18)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C2—C3</td><td rowspan="1" colspan="1">78.85 (18)</td><td rowspan="1" colspan="1">C14—Ru—C16—C11</td><td rowspan="1" colspan="1">102.14 (18)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C2—C7</td><td rowspan="1" colspan="1">−42.3 (4)</td><td rowspan="1" colspan="1">C14—Ru—C16—C15</td><td rowspan="1" colspan="1">−29.67 (17)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C2—C1</td><td rowspan="1" colspan="1">160.5 (2)</td><td rowspan="1" colspan="1">C15—Ru—C16—C11</td><td rowspan="1" colspan="1">131.8 (2)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C2—C3</td><td rowspan="1" colspan="1">42.4 (3)</td><td rowspan="1" colspan="1">Ru—C1—C2—C3</td><td rowspan="1" colspan="1">61.58 (18)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C2—C7</td><td rowspan="1" colspan="1">−78.8 (4)</td><td rowspan="1" colspan="1">Ru—C1—C2—C7</td><td rowspan="1" colspan="1">−121.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C2—C1</td><td rowspan="1" colspan="1">−48.0 (2)</td><td rowspan="1" colspan="1">C5—C1—C2—Ru</td><td rowspan="1" colspan="1">−62.5 (2)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C2—C3</td><td rowspan="1" colspan="1">−166.14 (16)</td><td rowspan="1" colspan="1">C5—C1—C2—C3</td><td rowspan="1" colspan="1">−0.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C2—C7</td><td rowspan="1" colspan="1">72.7 (4)</td><td rowspan="1" colspan="1">C5—C1—C2—C7</td><td rowspan="1" colspan="1">176.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C3—C2</td><td rowspan="1" colspan="1">37.69 (17)</td><td rowspan="1" colspan="1">C6—C1—C2—Ru</td><td rowspan="1" colspan="1">119.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C3—C4</td><td rowspan="1" colspan="1">−79.89 (18)</td><td rowspan="1" colspan="1">C6—C1—C2—C3</td><td rowspan="1" colspan="1">−179.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C3—C8</td><td rowspan="1" colspan="1">159.9 (3)</td><td rowspan="1" colspan="1">C6—C1—C2—C7</td><td rowspan="1" colspan="1">−2.1 (5)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C3—C4</td><td rowspan="1" colspan="1">−117.6 (2)</td><td rowspan="1" colspan="1">Ru—C1—C5—C4</td><td rowspan="1" colspan="1">−61.64 (19)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C3—C8</td><td rowspan="1" colspan="1">122.2 (3)</td><td rowspan="1" colspan="1">Ru—C1—C5—C10</td><td rowspan="1" colspan="1">120.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C3—C2</td><td rowspan="1" colspan="1">117.6 (2)</td><td rowspan="1" colspan="1">C2—C1—C5—Ru</td><td rowspan="1" colspan="1">62.42 (19)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C3—C8</td><td rowspan="1" colspan="1">−120.2 (3)</td><td rowspan="1" colspan="1">C2—C1—C5—C4</td><td rowspan="1" colspan="1">0.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C3—C2</td><td rowspan="1" colspan="1">80.38 (18)</td><td rowspan="1" colspan="1">C2—C1—C5—C10</td><td rowspan="1" colspan="1">−177.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C3—C4</td><td rowspan="1" colspan="1">−37.19 (17)</td><td rowspan="1" colspan="1">C6—C1—C5—Ru</td><td rowspan="1" colspan="1">−119.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C3—C8</td><td rowspan="1" colspan="1">−157.4 (3)</td><td rowspan="1" colspan="1">C6—C1—C5—C4</td><td rowspan="1" colspan="1">178.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C3—C2</td><td rowspan="1" colspan="1">−44.4 (3)</td><td rowspan="1" colspan="1">C6—C1—C5—C10</td><td rowspan="1" colspan="1">0.7 (5)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C3—C4</td><td rowspan="1" colspan="1">−161.97 (19)</td><td rowspan="1" colspan="1">Ru—C2—C3—C4</td><td rowspan="1" colspan="1">61.46 (18)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C3—C8</td><td rowspan="1" colspan="1">77.8 (3)</td><td rowspan="1" colspan="1">Ru—C2—C3—C8</td><td rowspan="1" colspan="1">−120.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C3—C2</td><td rowspan="1" colspan="1">−80.00 (19)</td><td rowspan="1" colspan="1">C1—C2—C3—Ru</td><td rowspan="1" colspan="1">−60.73 (18)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C3—C4</td><td rowspan="1" colspan="1">162.43 (16)</td><td rowspan="1" colspan="1">C1—C2—C3—C4</td><td rowspan="1" colspan="1">0.7 (3)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C3—C8</td><td rowspan="1" colspan="1">42.2 (3)</td><td rowspan="1" colspan="1">C1—C2—C3—C8</td><td rowspan="1" colspan="1">178.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C3—C2</td><td rowspan="1" colspan="1">−117.23 (17)</td><td rowspan="1" colspan="1">C7—C2—C3—Ru</td><td rowspan="1" colspan="1">122.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C3—C4</td><td rowspan="1" colspan="1">125.19 (17)</td><td rowspan="1" colspan="1">C7—C2—C3—C4</td><td rowspan="1" colspan="1">−176.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C3—C8</td><td rowspan="1" colspan="1">5.0 (3)</td><td rowspan="1" colspan="1">C7—C2—C3—C8</td><td rowspan="1" colspan="1">1.3 (5)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C3—C2</td><td rowspan="1" colspan="1">−156.01 (17)</td><td rowspan="1" colspan="1">Ru—C3—C4—C5</td><td rowspan="1" colspan="1">61.03 (19)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C3—C4</td><td rowspan="1" colspan="1">86.42 (18)</td><td rowspan="1" colspan="1">Ru—C3—C4—C9</td><td rowspan="1" colspan="1">−121.7 (3)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C3—C8</td><td rowspan="1" colspan="1">−33.8 (3)</td><td rowspan="1" colspan="1">C2—C3—C4—Ru</td><td rowspan="1" colspan="1">−61.28 (18)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C3—C2</td><td rowspan="1" colspan="1">168.32 (17)</td><td rowspan="1" colspan="1">C2—C3—C4—C5</td><td rowspan="1" colspan="1">−0.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C3—C4</td><td rowspan="1" colspan="1">50.7 (2)</td><td rowspan="1" colspan="1">C2—C3—C4—C9</td><td rowspan="1" colspan="1">177.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C3—C8</td><td rowspan="1" colspan="1">−69.5 (3)</td><td rowspan="1" colspan="1">C8—C3—C4—Ru</td><td rowspan="1" colspan="1">121.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C4—C3</td><td rowspan="1" colspan="1">80.98 (17)</td><td rowspan="1" colspan="1">C8—C3—C4—C5</td><td rowspan="1" colspan="1">−177.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C4—C5</td><td rowspan="1" colspan="1">−37.60 (18)</td><td rowspan="1" colspan="1">C8—C3—C4—C9</td><td rowspan="1" colspan="1">−0.7 (5)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C4—C9</td><td rowspan="1" colspan="1">−159.5 (3)</td><td rowspan="1" colspan="1">Ru—C4—C5—C1</td><td rowspan="1" colspan="1">61.11 (19)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C4—C3</td><td rowspan="1" colspan="1">37.64 (15)</td><td rowspan="1" colspan="1">Ru—C4—C5—C10</td><td rowspan="1" colspan="1">−120.7 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C4—C5</td><td rowspan="1" colspan="1">−80.94 (19)</td><td rowspan="1" colspan="1">C3—C4—C5—Ru</td><td rowspan="1" colspan="1">−61.45 (19)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C4—C9</td><td rowspan="1" colspan="1">157.2 (3)</td><td rowspan="1" colspan="1">C3—C4—C5—C1</td><td rowspan="1" colspan="1">−0.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C4—C5</td><td rowspan="1" colspan="1">−118.6 (2)</td><td rowspan="1" colspan="1">C3—C4—C5—C10</td><td rowspan="1" colspan="1">177.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C4—C9</td><td rowspan="1" colspan="1">119.6 (3)</td><td rowspan="1" colspan="1">C9—C4—C5—Ru</td><td rowspan="1" colspan="1">121.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C4—C3</td><td rowspan="1" colspan="1">118.6 (2)</td><td rowspan="1" colspan="1">C9—C4—C5—C1</td><td rowspan="1" colspan="1">−177.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C4—C9</td><td rowspan="1" colspan="1">−121.9 (3)</td><td rowspan="1" colspan="1">C9—C4—C5—C10</td><td rowspan="1" colspan="1">0.7 (5)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C4—C3</td><td rowspan="1" colspan="1">−38.3 (3)</td><td rowspan="1" colspan="1">Ru—C11—C12—C13</td><td rowspan="1" colspan="1">−54.4 (2)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C4—C5</td><td rowspan="1" colspan="1">−156.9 (3)</td><td rowspan="1" colspan="1">C16—C11—C12—Ru</td><td rowspan="1" colspan="1">53.4 (2)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C4—C9</td><td rowspan="1" colspan="1">81.3 (4)</td><td rowspan="1" colspan="1">C16—C11—C12—C13</td><td rowspan="1" colspan="1">−0.9 (4)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C4—C3</td><td rowspan="1" colspan="1">−71.68 (19)</td><td rowspan="1" colspan="1">C17—C11—C12—Ru</td><td rowspan="1" colspan="1">−121.9 (2)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C4—C5</td><td rowspan="1" colspan="1">169.74 (19)</td><td rowspan="1" colspan="1">C17—C11—C12—C13</td><td rowspan="1" colspan="1">−176.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C4—C9</td><td rowspan="1" colspan="1">47.9 (3)</td><td rowspan="1" colspan="1">Ru—C11—C16—C15</td><td rowspan="1" colspan="1">54.4 (2)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C4—C3</td><td rowspan="1" colspan="1">−107.89 (16)</td><td rowspan="1" colspan="1">C12—C11—C16—Ru</td><td rowspan="1" colspan="1">−53.6 (2)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C4—C5</td><td rowspan="1" colspan="1">133.53 (19)</td><td rowspan="1" colspan="1">C12—C11—C16—C15</td><td rowspan="1" colspan="1">0.8 (4)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C4—C9</td><td rowspan="1" colspan="1">11.7 (3)</td><td rowspan="1" colspan="1">C17—C11—C16—Ru</td><td rowspan="1" colspan="1">121.5 (2)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C4—C3</td><td rowspan="1" colspan="1">−147.27 (16)</td><td rowspan="1" colspan="1">C17—C11—C16—C15</td><td rowspan="1" colspan="1">175.8 (2)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C4—C5</td><td rowspan="1" colspan="1">94.15 (19)</td><td rowspan="1" colspan="1">Ru—C11—C17—O1</td><td rowspan="1" colspan="1">−58.8 (4)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C4—C9</td><td rowspan="1" colspan="1">−27.7 (3)</td><td rowspan="1" colspan="1">Ru—C11—C17—C18</td><td rowspan="1" colspan="1">122.0 (2)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C4—C3</td><td rowspan="1" colspan="1">177.58 (14)</td><td rowspan="1" colspan="1">C12—C11—C17—O1</td><td rowspan="1" colspan="1">27.0 (4)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C4—C5</td><td rowspan="1" colspan="1">59.0 (2)</td><td rowspan="1" colspan="1">C12—C11—C17—C18</td><td rowspan="1" colspan="1">−152.2 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C4—C9</td><td rowspan="1" colspan="1">−62.9 (3)</td><td rowspan="1" colspan="1">C16—C11—C17—O1</td><td rowspan="1" colspan="1">−148.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C5—C4</td><td rowspan="1" colspan="1">117.7 (2)</td><td rowspan="1" colspan="1">C16—C11—C17—C18</td><td rowspan="1" colspan="1">32.6 (4)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C5—C10</td><td rowspan="1" colspan="1">−120.8 (4)</td><td rowspan="1" colspan="1">Ru—C12—C13—C14</td><td rowspan="1" colspan="1">−53.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C5—C1</td><td rowspan="1" colspan="1">−38.29 (17)</td><td rowspan="1" colspan="1">C11—C12—C13—Ru</td><td rowspan="1" colspan="1">54.3 (2)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C5—C4</td><td rowspan="1" colspan="1">79.40 (17)</td><td rowspan="1" colspan="1">C11—C12—C13—C14</td><td rowspan="1" colspan="1">0.5 (4)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C5—C10</td><td rowspan="1" colspan="1">−159.1 (3)</td><td rowspan="1" colspan="1">Ru—C13—C14—C15</td><td rowspan="1" colspan="1">−54.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C5—C1</td><td rowspan="1" colspan="1">−80.83 (18)</td><td rowspan="1" colspan="1">C12—C13—C14—Ru</td><td rowspan="1" colspan="1">54.2 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C5—C4</td><td rowspan="1" colspan="1">36.86 (15)</td><td rowspan="1" colspan="1">C12—C13—C14—C15</td><td rowspan="1" colspan="1">0.1 (5)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C5—C10</td><td rowspan="1" colspan="1">158.4 (3)</td><td rowspan="1" colspan="1">Ru—C14—C15—C16</td><td rowspan="1" colspan="1">−54.8 (2)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C5—C1</td><td rowspan="1" colspan="1">−117.7 (2)</td><td rowspan="1" colspan="1">C13—C14—C15—Ru</td><td rowspan="1" colspan="1">54.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C5—C10</td><td rowspan="1" colspan="1">121.5 (4)</td><td rowspan="1" colspan="1">C13—C14—C15—C16</td><td rowspan="1" colspan="1">−0.3 (4)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C5—C1</td><td rowspan="1" colspan="1">67.5 (2)</td><td rowspan="1" colspan="1">Ru—C15—C16—C11</td><td rowspan="1" colspan="1">−55.0 (2)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C5—C4</td><td rowspan="1" colspan="1">−174.81 (14)</td><td rowspan="1" colspan="1">C14—C15—C16—Ru</td><td rowspan="1" colspan="1">54.8 (2)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C5—C10</td><td rowspan="1" colspan="1">−53.3 (3)</td><td rowspan="1" colspan="1">C14—C15—C16—C11</td><td rowspan="1" colspan="1">−0.2 (4)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C5—C1</td><td rowspan="1" colspan="1">178.51 (17)</td><td rowspan="1" colspan="1">O1—C17—C18—C19</td><td rowspan="1" colspan="1">−153.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C5—C4</td><td rowspan="1" colspan="1">−63.8 (2)</td><td rowspan="1" colspan="1">O1—C17—C18—C23</td><td rowspan="1" colspan="1">24.9 (5)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C5—C10</td><td rowspan="1" colspan="1">57.7 (3)</td><td rowspan="1" colspan="1">C11—C17—C18—C19</td><td rowspan="1" colspan="1">26.2 (4)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C5—C1</td><td rowspan="1" colspan="1">142.81 (17)</td><td rowspan="1" colspan="1">C11—C17—C18—C23</td><td rowspan="1" colspan="1">−155.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C5—C4</td><td rowspan="1" colspan="1">−99.51 (17)</td><td rowspan="1" colspan="1">C17—C18—C19—C20</td><td rowspan="1" colspan="1">178.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C5—C10</td><td rowspan="1" colspan="1">22.0 (3)</td><td rowspan="1" colspan="1">C23—C18—C19—C20</td><td rowspan="1" colspan="1">0.9 (5)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C5—C1</td><td rowspan="1" colspan="1">103.00 (17)</td><td rowspan="1" colspan="1">C17—C18—C23—C22</td><td rowspan="1" colspan="1">−178.7 (4)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C5—C4</td><td rowspan="1" colspan="1">−139.32 (15)</td><td rowspan="1" colspan="1">C19—C18—C23—C22</td><td rowspan="1" colspan="1">−0.6 (6)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C5—C10</td><td rowspan="1" colspan="1">−17.8 (3)</td><td rowspan="1" colspan="1">C18—C19—C20—C21</td><td rowspan="1" colspan="1">−0.8 (5)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C11—C12</td><td rowspan="1" colspan="1">−125.09 (19)</td><td rowspan="1" colspan="1">C19—C20—C21—C22</td><td rowspan="1" colspan="1">0.3 (6)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C11—C16</td><td rowspan="1" colspan="1">102.81 (17)</td><td rowspan="1" colspan="1">C20—C21—C22—C23</td><td rowspan="1" colspan="1">0.1 (8)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C11—C17</td><td rowspan="1" colspan="1">−14.6 (3)</td><td rowspan="1" colspan="1">C21—C22—C23—C18</td><td rowspan="1" colspan="1">0.1 (8)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C11—C12</td><td rowspan="1" colspan="1">−84.1 (2)</td><td rowspan="1" colspan="1">C29—C24—C25—C26</td><td rowspan="1" colspan="1">−2.0 (4)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C11—C16</td><td rowspan="1" colspan="1">143.79 (16)</td><td rowspan="1" colspan="1">B—C24—C25—C26</td><td rowspan="1" colspan="1">176.9 (2)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C11—C17</td><td rowspan="1" colspan="1">26.4 (3)</td><td rowspan="1" colspan="1">C25—C24—C29—C28</td><td rowspan="1" colspan="1">1.5 (4)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C11—C12</td><td rowspan="1" colspan="1">−54.9 (3)</td><td rowspan="1" colspan="1">B—C24—C29—C28</td><td rowspan="1" colspan="1">−177.4 (2)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C11—C16</td><td rowspan="1" colspan="1">172.98 (18)</td><td rowspan="1" colspan="1">C25—C24—B—C30</td><td rowspan="1" colspan="1">139.7 (2)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C11—C17</td><td rowspan="1" colspan="1">55.6 (3)</td><td rowspan="1" colspan="1">C25—C24—B—C36</td><td rowspan="1" colspan="1">19.2 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C11—C12</td><td rowspan="1" colspan="1">−162.16 (19)</td><td rowspan="1" colspan="1">C25—C24—B—C42</td><td rowspan="1" colspan="1">−100.7 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C11—C16</td><td rowspan="1" colspan="1">65.7 (2)</td><td rowspan="1" colspan="1">C29—C24—B—C30</td><td rowspan="1" colspan="1">−41.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—Ru—C11—C17</td><td rowspan="1" colspan="1">−51.6 (3)</td><td rowspan="1" colspan="1">C29—C24—B—C36</td><td rowspan="1" colspan="1">−162.0 (2)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C11—C16</td><td rowspan="1" colspan="1">−132.1 (2)</td><td rowspan="1" colspan="1">C29—C24—B—C42</td><td rowspan="1" colspan="1">78.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C11—C17</td><td rowspan="1" colspan="1">110.5 (3)</td><td rowspan="1" colspan="1">C24—C25—C26—C27</td><td rowspan="1" colspan="1">1.3 (4)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C11—C12</td><td rowspan="1" colspan="1">28.62 (19)</td><td rowspan="1" colspan="1">C25—C26—C27—C28</td><td rowspan="1" colspan="1">0.0 (4)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C11—C16</td><td rowspan="1" colspan="1">−103.48 (18)</td><td rowspan="1" colspan="1">C26—C27—C28—C29</td><td rowspan="1" colspan="1">−0.5 (4)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C11—C17</td><td rowspan="1" colspan="1">139.2 (3)</td><td rowspan="1" colspan="1">C27—C28—C29—C24</td><td rowspan="1" colspan="1">−0.3 (4)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C11—C12</td><td rowspan="1" colspan="1">65.23 (19)</td><td rowspan="1" colspan="1">C35—C30—C31—C32</td><td rowspan="1" colspan="1">−0.8 (4)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C11—C16</td><td rowspan="1" colspan="1">−66.88 (17)</td><td rowspan="1" colspan="1">B—C30—C31—C32</td><td rowspan="1" colspan="1">173.7 (3)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C11—C17</td><td rowspan="1" colspan="1">175.8 (3)</td><td rowspan="1" colspan="1">C31—C30—C35—C34</td><td rowspan="1" colspan="1">0.7 (4)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C11—C12</td><td rowspan="1" colspan="1">102.49 (19)</td><td rowspan="1" colspan="1">B—C30—C35—C34</td><td rowspan="1" colspan="1">−173.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C11—C16</td><td rowspan="1" colspan="1">−29.61 (16)</td><td rowspan="1" colspan="1">C31—C30—B—C24</td><td rowspan="1" colspan="1">148.1 (2)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C11—C17</td><td rowspan="1" colspan="1">−147.0 (3)</td><td rowspan="1" colspan="1">C31—C30—B—C36</td><td rowspan="1" colspan="1">−89.2 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C11—C12</td><td rowspan="1" colspan="1">132.1 (2)</td><td rowspan="1" colspan="1">C31—C30—B—C42</td><td rowspan="1" colspan="1">28.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C11—C17</td><td rowspan="1" colspan="1">−117.4 (3)</td><td rowspan="1" colspan="1">C35—C30—B—C24</td><td rowspan="1" colspan="1">−37.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C12—C11</td><td rowspan="1" colspan="1">72.8 (2)</td><td rowspan="1" colspan="1">C35—C30—B—C36</td><td rowspan="1" colspan="1">84.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C12—C13</td><td rowspan="1" colspan="1">−154.75 (19)</td><td rowspan="1" colspan="1">C35—C30—B—C42</td><td rowspan="1" colspan="1">−157.7 (2)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C12—C11</td><td rowspan="1" colspan="1">112.06 (17)</td><td rowspan="1" colspan="1">C30—C31—C32—C33</td><td rowspan="1" colspan="1">0.8 (6)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C12—C13</td><td rowspan="1" colspan="1">−115.5 (2)</td><td rowspan="1" colspan="1">C31—C32—C33—C34</td><td rowspan="1" colspan="1">−0.5 (6)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C12—C11</td><td rowspan="1" colspan="1">151.83 (14)</td><td rowspan="1" colspan="1">C32—C33—C34—C35</td><td rowspan="1" colspan="1">0.4 (5)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C12—C13</td><td rowspan="1" colspan="1">−75.7 (2)</td><td rowspan="1" colspan="1">C33—C34—C35—C30</td><td rowspan="1" colspan="1">−0.5 (5)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C12—C11</td><td rowspan="1" colspan="1">178.2 (2)</td><td rowspan="1" colspan="1">C41—C36—C37—C38</td><td rowspan="1" colspan="1">0.8 (4)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C12—C13</td><td rowspan="1" colspan="1">−49.3 (4)</td><td rowspan="1" colspan="1">B—C36—C37—C38</td><td rowspan="1" colspan="1">176.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C12—C13</td><td rowspan="1" colspan="1">132.5 (3)</td><td rowspan="1" colspan="1">C37—C36—C41—C40</td><td rowspan="1" colspan="1">−1.9 (4)</td></tr><tr><td rowspan="1" colspan="1">C13—Ru—C12—C11</td><td rowspan="1" colspan="1">−132.5 (3)</td><td rowspan="1" colspan="1">B—C36—C41—C40</td><td rowspan="1" colspan="1">−177.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C12—C11</td><td rowspan="1" colspan="1">−103.41 (19)</td><td rowspan="1" colspan="1">C37—C36—B—C24</td><td rowspan="1" colspan="1">121.1 (2)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C12—C13</td><td rowspan="1" colspan="1">29.06 (19)</td><td rowspan="1" colspan="1">C37—C36—B—C30</td><td rowspan="1" colspan="1">0.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C12—C11</td><td rowspan="1" colspan="1">−66.53 (17)</td><td rowspan="1" colspan="1">C37—C36—B—C42</td><td rowspan="1" colspan="1">−117.9 (2)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C12—C13</td><td rowspan="1" colspan="1">65.9 (2)</td><td rowspan="1" colspan="1">C41—C36—B—C24</td><td rowspan="1" colspan="1">−63.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C12—C11</td><td rowspan="1" colspan="1">−29.08 (15)</td><td rowspan="1" colspan="1">C41—C36—B—C30</td><td rowspan="1" colspan="1">175.8 (2)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C12—C13</td><td rowspan="1" colspan="1">103.4 (2)</td><td rowspan="1" colspan="1">C41—C36—B—C42</td><td rowspan="1" colspan="1">57.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C13—C12</td><td rowspan="1" colspan="1">55.2 (3)</td><td rowspan="1" colspan="1">C36—C37—C38—C39</td><td rowspan="1" colspan="1">1.1 (5)</td></tr><tr><td rowspan="1" colspan="1">C1—Ru—C13—C14</td><td rowspan="1" colspan="1">−172.6 (2)</td><td rowspan="1" colspan="1">C37—C38—C39—C40</td><td rowspan="1" colspan="1">−1.9 (6)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C13—C12</td><td rowspan="1" colspan="1">80.8 (2)</td><td rowspan="1" colspan="1">C38—C39—C40—C41</td><td rowspan="1" colspan="1">0.9 (5)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C13—C14</td><td rowspan="1" colspan="1">−147.00 (18)</td><td rowspan="1" colspan="1">C39—C40—C41—C36</td><td rowspan="1" colspan="1">1.2 (5)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C13—C12</td><td rowspan="1" colspan="1">119.96 (18)</td><td rowspan="1" colspan="1">C47—C42—C43—C44</td><td rowspan="1" colspan="1">−1.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C13—C14</td><td rowspan="1" colspan="1">−107.83 (18)</td><td rowspan="1" colspan="1">B—C42—C43—C44</td><td rowspan="1" colspan="1">−178.5 (2)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C13—C12</td><td rowspan="1" colspan="1">157.45 (17)</td><td rowspan="1" colspan="1">C43—C42—C47—C46</td><td rowspan="1" colspan="1">2.4 (4)</td></tr><tr><td rowspan="1" colspan="1">C4—Ru—C13—C14</td><td rowspan="1" colspan="1">−70.4 (2)</td><td rowspan="1" colspan="1">B—C42—C47—C46</td><td rowspan="1" colspan="1">179.3 (2)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C13—C12</td><td rowspan="1" colspan="1">−29.21 (18)</td><td rowspan="1" colspan="1">C43—C42—B—C24</td><td rowspan="1" colspan="1">−41.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—Ru—C13—C14</td><td rowspan="1" colspan="1">103.0 (2)</td><td rowspan="1" colspan="1">C43—C42—B—C30</td><td rowspan="1" colspan="1">78.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C12—Ru—C13—C14</td><td rowspan="1" colspan="1">132.2 (3)</td><td rowspan="1" colspan="1">C43—C42—B—C36</td><td rowspan="1" colspan="1">−163.7 (2)</td></tr><tr><td rowspan="1" colspan="1">C14—Ru—C13—C12</td><td rowspan="1" colspan="1">−132.2 (3)</td><td rowspan="1" colspan="1">C47—C42—B—C24</td><td rowspan="1" colspan="1">142.3 (2)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C13—C12</td><td rowspan="1" colspan="1">−103.3 (2)</td><td rowspan="1" colspan="1">C47—C42—B—C30</td><td rowspan="1" colspan="1">−98.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—Ru—C13—C14</td><td rowspan="1" colspan="1">28.89 (18)</td><td rowspan="1" colspan="1">C47—C42—B—C36</td><td rowspan="1" colspan="1">19.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C13—C12</td><td rowspan="1" colspan="1">−65.92 (19)</td><td rowspan="1" colspan="1">C42—C43—C44—C45</td><td rowspan="1" colspan="1">−0.4 (4)</td></tr><tr><td rowspan="1" colspan="1">C16—Ru—C13—C14</td><td rowspan="1" colspan="1">66.28 (18)</td><td rowspan="1" colspan="1">C43—C44—C45—C46</td><td rowspan="1" colspan="1">1.7 (4)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C14—C13</td><td rowspan="1" colspan="1">59.1 (3)</td><td rowspan="1" colspan="1">C44—C45—C46—C47</td><td rowspan="1" colspan="1">−1.0 (5)</td></tr><tr><td rowspan="1" colspan="1">C2—Ru—C14—C15</td><td rowspan="1" colspan="1">−168.04 (17)</td><td rowspan="1" colspan="1">C45—C46—C47—C42</td><td rowspan="1" colspan="1">−1.2 (5)</td></tr><tr><td rowspan="1" colspan="1">C3—Ru—C14—C13</td><td rowspan="1" colspan="1">86.14 (19)</td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr></table></table-wrap><p>Symmetry codes: (i) <italic>x</italic>+1, <italic>y</italic>, <italic>z</italic>; (ii) −<italic>x</italic>+3/2, <italic>y</italic>−1/2, −<italic>z</italic>+1/2; (iii) −<italic>x</italic>+3/2, <italic>y</italic>+1/2, −<italic>z</italic>+1/2; (iv) <italic>x</italic>−1, <italic>y</italic>, <italic>z</italic>; (v) −<italic>x</italic>+2, −<italic>y</italic>, −<italic>z</italic>; (vi) −<italic>x</italic>+1, −<italic>y</italic>, −<italic>z</italic>; (vii) −<italic>x</italic>+1, −<italic>y</italic>, −<italic>z</italic>+1; (viii) −<italic>x</italic>+2, −<italic>y</italic>, −<italic>z</italic>+1; (ix) −<italic>x</italic>+1/2, <italic>y</italic>+1/2, −<italic>z</italic>+1/2; (x) −<italic>x</italic>+1/2, <italic>y</italic>−1/2, −<italic>z</italic>+1/2.</p></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). <italic>J. Appl. Cryst.</italic><bold>32</bold>, 115–119.</mixed-citation></ref><ref id="bb2"><mixed-citation publication-type="other">Farrugia, L. J. (1997). <italic>J. Appl. Cryst.</italic><bold>30</bold>, 565.</mixed-citation></ref><ref id="bb3"><mixed-citation publication-type="other">Gemel, C., Mereiter, K., Schmid, R. & Kirchner, K. (1996). <italic>Organometallics</italic>, <bold>15</bold>, 532–542.</mixed-citation></ref><ref id="bb4"><mixed-citation publication-type="other">Loughrey, B. T., Healy, P. C., Parsons, P. G. & Williams, M. L. (2008). <italic>Inorg. Chem.</italic><bold>47</bold>, 8589–8591.</mixed-citation></ref><ref id="bb5"><mixed-citation publication-type="other">Loughrey, B. T., Williams, M. L., Healy, P. C., Innocenti, A., Vullo, D., Supuran, C. T., Parsons, P. G. & Poulsen, S.-A. (2009). <italic>J. Biol. Inorg. Chem.</italic><bold>14</bold>, 935–945.</mixed-citation></ref><ref id="bb6"><mixed-citation publication-type="other">Moncol, J. & Coppens, P. (2004). Private communication (refcode BPHENO12). CCDC, Cambridge, England.</mixed-citation></ref><ref id="bb7"><mixed-citation publication-type="other">Oxford Diffraction (2007). <italic>CrysAlis CCD</italic> and <italic>CrysAlis RED</italic> Oxford Diffraction Ltd, Abingdon, England.</mixed-citation></ref><ref id="bb8"><mixed-citation publication-type="other">Sheldrick, G. M. (2008). <italic>Acta Cryst.</italic> A<bold>64</bold>, 112–122.</mixed-citation></ref><ref id="bb9"><mixed-citation publication-type="other">Spek, A. L. (2009). <italic>Acta Cryst.</italic> D<bold>65</bold>, 148–155.</mixed-citation></ref></ref-list></back></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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