ThuliumV1, Pmc, Corpus, bibRecord, 000348

Bis[tris(3-tert-butyl-5-methylpyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate

Identifieur interne : 000348 ( Pmc/Corpus ); précédent : 000347; suivant : 000349

Bis[tris(3-tert-butyl-5-methylpyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate

Auteurs : Kuburat O. Saliu ; Josef Takats ; Michael J. Ferguson

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2009.

RBID : PMC:2969540

Abstract

In the title compound, [Yb(C₂₄H₄₀BN₆)₂]·C₇H₈, the Yb atom is coordinated by two tris(3-tert-butyl-5-methylpyrazol-1-yl)hydridoborate [Tp^tBu,Me] ligands. One ligand binds in the κ³ mode, throuh three N atoms of the pyrazolyl rings, the other ligand coordinates through two N atoms of the pyrazolyl rings and the H atom attached to the central B via an agostic-type interaction through the B—H group of the second Tp^tBu,Me ligand, giving an overall distorted octahedral geometry. One of the tert-butyl groups is disordered over two sites, with occupancies of 0.65 and 0.35.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969540

DOI: 10.1107/S1600536809017152
PubMed: 21583010
PubMed Central: 2969540

Links to Exploration step

PMC:2969540

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Bis[tris(3-<italic>tert</italic>
-butyl-5-methylpyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate</title>
<author><name sortKey="Saliu, Kuburat O" sort="Saliu, Kuburat O" uniqKey="Saliu K" first="Kuburat O." last="Saliu">Kuburat O. Saliu</name>
<affiliation><nlm:aff id="a">Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Takats, Josef" sort="Takats, Josef" uniqKey="Takats J" first="Josef" last="Takats">Josef Takats</name>
<affiliation><nlm:aff id="a">Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Ferguson, Michael J" sort="Ferguson, Michael J" uniqKey="Ferguson M" first="Michael J." last="Ferguson">Michael J. Ferguson</name>
<affiliation><nlm:aff id="b">X-ray Crystallography Laboratory, Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</nlm:aff>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PMC</idno>
<idno type="pmid">21583010</idno>
<idno type="pmc">2969540</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969540</idno>
<idno type="RBID">PMC:2969540</idno>
<idno type="doi">10.1107/S1600536809017152</idno>
<date when="2009">2009</date>
<idno type="wicri:Area/Pmc/Corpus">000348</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000348</idno>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Bis[tris(3-<italic>tert</italic>
-butyl-5-methylpyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate</title>
<author><name sortKey="Saliu, Kuburat O" sort="Saliu, Kuburat O" uniqKey="Saliu K" first="Kuburat O." last="Saliu">Kuburat O. Saliu</name>
<affiliation><nlm:aff id="a">Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Takats, Josef" sort="Takats, Josef" uniqKey="Takats J" first="Josef" last="Takats">Josef Takats</name>
<affiliation><nlm:aff id="a">Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Ferguson, Michael J" sort="Ferguson, Michael J" uniqKey="Ferguson M" first="Michael J." last="Ferguson">Michael J. Ferguson</name>
<affiliation><nlm:aff id="b">X-ray Crystallography Laboratory, Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</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>In the title compound, [Yb(C<sub>24</sub>
H<sub>40</sub>
BN<sub>6</sub>
)<sub>2</sub>
]·C<sub>7</sub>
H<sub>8</sub>
, the Yb atom is coordinated by two tris(3-<italic>tert</italic>
-butyl-5-methylpyrazol-1-yl)hydridoborate [Tp<sup><italic>t</italic>
Bu,Me</sup>
] ligands. One ligand binds in the κ<sup>3</sup>
 mode, throuh three N atoms of the pyrazolyl rings, the other ligand coordinates through two N atoms of the pyrazolyl rings and the H atom attached to the central B <italic>via</italic>
 an agostic-type interaction through the B—H group of the second Tp<sup><italic>t</italic>
Bu,Me</sup>
 ligand, giving an overall distorted octahedral geometry. One of the <italic>tert</italic>
-butyl groups is disordered over two sites, with occupancies of 0.65 and 0.35.</p>
</div>
</front>
<back><div1 type="bibliography"><listBibl><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">21583010</article-id>
<article-id pub-id-type="pmc">2969540</article-id>
<article-id pub-id-type="publisher-id">lh2812</article-id>
<article-id pub-id-type="doi">10.1107/S1600536809017152</article-id>
<article-id pub-id-type="coden">ACSEBH</article-id>
<article-id pub-id-type="pii">S1600536809017152</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject>
</subj-group>
</article-categories>
<title-group><article-title>Bis[tris(3-<italic>tert</italic>
-butyl-5-methylpyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate</article-title>
<alt-title><italic>[Yb(C<sub>24</sub>
H<sub>40</sub>
BN<sub>6</sub>
)<sub>2</sub>
]·C<sub>7</sub>
H<sub>8</sub>
</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Saliu</surname>
<given-names>Kuburat O.</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Takats</surname>
<given-names>Josef</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Ferguson</surname>
<given-names>Michael J.</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<aff id="a"><label>a</label>
Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</aff>
<aff id="b"><label>b</label>
X-ray Crystallography Laboratory, Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>michael.ferguson@ualberta.ca</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>6</month>
<year>2009</year>
</pub-date>
<pub-date pub-type="epub"><day>14</day>
<month>5</month>
<year>2009</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>14</day>
<month>5</month>
<year>2009</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the 
 							. </pmc-comment>
      <volume>65</volume>
<issue>Pt 6</issue>
<issue-id pub-id-type="publisher-id">e090600</issue-id>
<fpage>m643</fpage>
<lpage>m644</lpage>
<history><date date-type="received"><day>23</day>
<month>4</month>
<year>2009</year>
</date>
<date date-type="accepted"><day>06</day>
<month>5</month>
<year>2009</year>
</date>
</history>
<permissions><copyright-statement>© Saliu 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/S1600536809017152">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract><p>In the title compound, [Yb(C<sub>24</sub>
H<sub>40</sub>
BN<sub>6</sub>
)<sub>2</sub>
]·C<sub>7</sub>
H<sub>8</sub>
, the Yb atom is coordinated by two tris(3-<italic>tert</italic>
-butyl-5-methylpyrazol-1-yl)hydridoborate [Tp<sup><italic>t</italic>
Bu,Me</sup>
] ligands. One ligand binds in the κ<sup>3</sup>
 mode, throuh three N atoms of the pyrazolyl rings, the other ligand coordinates through two N atoms of the pyrazolyl rings and the H atom attached to the central B <italic>via</italic>
 an agostic-type interaction through the B—H group of the second Tp<sup><italic>t</italic>
Bu,Me</sup>
 ligand, giving an overall distorted octahedral geometry. One of the <italic>tert</italic>
-butyl groups is disordered over two sites, with occupancies of 0.65 and 0.35.</p>
</abstract>
</article-meta>
</front>
<body><sec id="sec1"><title>Related literature</title>
<p>For full details of the synthesis and spectroscopic characterization of the title compound, see: Zhang <italic>et al.</italic>
 (1995<xref ref-type="bibr" rid="bb7"> ▶</xref>
). For the samarium analogue, see: Zhang <italic>et al.</italic>
 (1995<xref ref-type="bibr" rid="bb7"> ▶</xref>
). For the thulium analogue, see: Cheng <italic>et al.</italic>
 (2008<xref ref-type="bibr" rid="bb3"> ▶</xref>
). For B—H agostic interactions involving pyrazolylborate ligands, see: Calabrese <italic>et al.</italic>
 (1990<xref ref-type="bibr" rid="bb2"> ▶</xref>
); Kosky <italic>et al.</italic>
 (1971<xref ref-type="bibr" rid="bb5"> ▶</xref>
); Cotton <italic>et al.</italic>
 (1972<xref ref-type="bibr" rid="bb4"> ▶</xref>
).<chem-struct id="scheme1"><graphic xlink:href="e-65-0m643-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>[Yb(C<sub>24</sub>
H<sub>40</sub>
BN<sub>6</sub>
)<sub>2</sub>
]·C<sub>7</sub>
H<sub>8</sub>
</p>
</list-item>
<list-item><p><italic>M</italic>
<italic><sub>r</sub>
</italic>
 = 1112.03</p>
</list-item>
<list-item><p>Triclinic, <inline-formula><inline-graphic xlink:href="e-65-0m643-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
</p>
</list-item>
<list-item><p><italic>a</italic>
 = 11.8621 (17) Å</p>
</list-item>
<list-item><p><italic>b</italic>
 = 12.1587 (17) Å</p>
</list-item>
<list-item><p><italic>c</italic>
 = 20.650 (3) Å</p>
</list-item>
<list-item><p>α = 96.1072 (19)°</p>
</list-item>
<list-item><p>β = 96.1001 (18)°</p>
</list-item>
<list-item><p>γ = 98.9737 (19)°</p>
</list-item>
<list-item><p><italic>V</italic>
 = 2902.1 (7) Å<sup>3</sup>
</p>
</list-item>
<list-item><p><italic>Z</italic>
 = 2</p>
</list-item>
<list-item><p>Mo <italic>K</italic>
α radiation</p>
</list-item>
<list-item><p>μ = 1.66 mm<sup>−1</sup>
</p>
</list-item>
<list-item><p><italic>T</italic>
 = 193 K</p>
</list-item>
<list-item><p>0.39 × 0.36 × 0.14 mm</p>
</list-item>
</list>
</p>
</sec>
<sec id="sec2.1.2"><title>Data collection</title>
<p><list list-type="simple"><list-item><p>Bruker SMART 1000 diffractometer</p>
</list-item>
<list-item><p>Absorption correction: integration (<italic>SHELXTL</italic>
; Sheldrick, 2008<xref ref-type="bibr" rid="bb6"> ▶</xref>
) <italic>T</italic>
<sub>min</sub>
 = 0.564, <italic>T</italic>
<sub>max</sub>
 = 0.801</p>
</list-item>
<list-item><p>24467 measured reflections</p>
</list-item>
<list-item><p>13091 independent reflections</p>
</list-item>
<list-item><p>11816 reflections with <italic>I</italic>
 > 2σ(<italic>I</italic>
)</p>
</list-item>
<list-item><p><italic>R</italic>
<sub>int</sub>
 = 0.026</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>
)] = 0.035</p>
</list-item>
<list-item><p><italic>wR</italic>
(<italic>F</italic>
<sup>2</sup>
) = 0.096</p>
</list-item>
<list-item><p><italic>S</italic>
 = 1.10</p>
</list-item>
<list-item><p>13091 reflections</p>
</list-item>
<list-item><p>669 parameters</p>
</list-item>
<list-item><p>H atoms treated by a mixture of independent and constrained refinement</p>
</list-item>
<list-item><p>Δρ<sub>max</sub>
 = 1.91 e Å<sup>−3</sup>
</p>
</list-item>
<list-item><p>Δρ<sub>min</sub>
 = −1.74 e Å<sup>−3</sup>
</p>
</list-item>
</list>
</p>
</sec>
</sec>
<sec id="d5e555"><title></title>
<p>Data collection: <italic>SMART</italic>
 (Bruker, 1997<xref ref-type="bibr" rid="bb1"> ▶</xref>
); cell refinement: <italic>SAINT</italic>
 (Bruker, 1997<xref ref-type="bibr" rid="bb1"> ▶</xref>
); data reduction: <italic>SAINT</italic>
; program(s) used to solve structure: <italic>SHELXS97</italic>
 (Sheldrick, 2008<xref ref-type="bibr" rid="bb6"> ▶</xref>
); program(s) used to refine structure: <italic>SHELXL97</italic>
 (Sheldrick, 2008<xref ref-type="bibr" rid="bb6"> ▶</xref>
); molecular graphics: <italic>SHELXTL</italic>
 (Sheldrick, 2008<xref ref-type="bibr" rid="bb6"> ▶</xref>
); software used to prepare material for publication: <italic>SHELXTL</italic>
.</p>
</sec>
</sec>
<sec sec-type="supplementary-material"><title>Supplementary Material</title>
<supplementary-material content-type="local-data" xlink:href="e-65-0m643-sup1.cif" position="float" xlink:type="simple"><p>Crystal structure: contains datablocks I, global. DOI: <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536809017152/lh2812sup1.cif">10.1107/S1600536809017152/lh2812sup1.cif</ext-link>
</p>
<media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-65-0m643-sup1.cif" position="float" xlink:type="simple"></media>
</supplementary-material>
<supplementary-material content-type="local-data" xlink:href="e-65-0m643-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/S1600536809017152/lh2812Isup2.hkl">10.1107/S1600536809017152/lh2812Isup2.hkl</ext-link>
</p>
<media mimetype="text" mime-subtype="plain" xlink:href="e-65-0m643-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?lh2812&file=lh2812sup0.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?lh2812sup1&Qmime=cif" xlink:type="simple">3D view</ext-link>
; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?lh2812&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?lh2812">LH2812</ext-link>
).</p>
</fn>
</fn-group>
<ack><p>This work was supported by the Natural Science and Engineering Research Council of Canada and the University of Alberta.</p>
</ack>
<app-group><app><title>supplementary crystallographic 
information</title>
<sec id="comment"><title>Comment </title>
<p>The synthesis, solution structure and spectroscopic characterization of the
title compound was reported by Zhang <italic>et al.</italic> (1995) along with
the
samarium analogue whose structure was reported then. The structure of the
ytterbium analogue is similar to that reported for the samarium compound
featuring a distorted six coordinate octahedral geometry formed by five
N atoms of two Tp<italic><sup>t</sup>
</italic>
<sup>Bu,Me</sup> ligands and additional agostic B—H
interaction from the B—H group of one Tp<italic><sup>t</sup>
</italic>
<sup>Bu,Me</sup> ligand. The axial
sites are occupied by N32 and H2B. The distortion from ideal geometry is
obvious from the deviation of the interatomic angles and distances from the
idealized values. The intraligand equatorial bonds to the axial N32 are
approximately 90° (87.15 (8)° and 93.28 (8)° to N12 and N22, respectively)
whereas the corresponding angles to the inter-ligand equatorial N atoms are
greater than 90° (97.77 (8)° and 108.92 (8)°, respectively). The distortion
from the ideal geometry is also reflected in the non-lineal axial angle of
153.8 (9)°, which is comparable to the value of 152° observed in the samarium
analogue. The presence of the B—H agostic interaction is evident in the short
Yb—B2 interatomic distance of 3.002 (3) Å, compared to the much longer
Yb—B1 separation of 3.310 (3) Å in the unperturbed ligand. Further, the
average Yb—N bond distance in the κ<sup>3</sup> ligand is shorter than that in the
formally κ<sup>2</sup>
 ligand, 2.52 (2) Å and 2.59 (4) Å, respectively.</p>
</sec>
<sec id="experimental"><title>Experimental </title>
<p>X-ray quality crystals of the titled compound were obtained <italic>via</italic> ligand
redistribution while attempting to grow crystals of
(Tp<italic><sup>t</sup>
</italic>
<sup>Bu,Me</sup>
)Yb(BH<sub>4</sub>) from a dilute toluene solution cooled to 233 K
over several days.</p>
</sec>
<sec id="refinement"><title>Refinement </title>
<p>H atom H2B (attached to B atom B2) was allowed to freely refine; the remaining
H atoms were generated in idealized positions (according to the <italic>sp</italic>
<sup>2</sup> or
<italic>sp</italic>
<sup>3</sup> geometries of their parent C or B atoms), and then refined using a
riding model with fixed C—H and B—H distances (C—H = 0.95–1.00 Å,
B1—H1B = 1.00 Å) and with <italic>U</italic>
<sub>iso</sub>
(H) = 1.2<italic>U</italic>
<sub>eq</sub>(C,B). One of
the t-butyl groups is disordered over two sites with initially refined
occupancies which were finally fixed at 0.65 and 0.35.</p>
</sec>
<sec id="figures"><title>Figures</title>
<fig id="Fap1"><label>Fig. 1.</label>
<caption><p>The molecular structure of the title compound, showing the atom labelling scheme. Non-hydrogen atoms are represented by ellipsoids at the 30% probability level. H atoms attached to B atoms are shown with arbitrarily small radii; the remaining H atoms are not shown for clarity. The disorder and the solvent molecule are not shown.</p>
</caption>
<graphic xlink:href="e-65-0m643-fig1"></graphic>
</fig>
</sec>
<sec id="tablewrapcrystaldatalong"><title>Crystal data</title>
<table-wrap position="anchor" id="d1e147"><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">[Yb(C<sub>24</sub>
H<sub>40</sub>
BN<sub>6</sub>
)<sub>2</sub>
]·C<sub>7</sub>
H<sub>8</sub>
</td>
<td rowspan="1" colspan="1"><italic>Z</italic>
 = 2</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>M</italic>
<italic><sub>r</sub>
</italic>
 = 1112.03</td>
<td rowspan="1" colspan="1"><italic>F</italic>
(000) = 1164</td>
</tr>
<tr><td rowspan="1" colspan="1">Triclinic, <italic>P</italic>
1</td>
<td rowspan="1" colspan="1"><italic>D</italic>
<sub>x</sub>
 = 1.273 Mg m<sup>−</sup>
<sup>3</sup>
</td>
</tr>
<tr><td rowspan="1" colspan="1">Hall symbol:  -P 1</td>
<td rowspan="1" colspan="1">Mo <italic>K</italic>
α radiation, λ = 0.71073 Å</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>a</italic>
 = 11.8621 (17) Å</td>
<td rowspan="1" colspan="1">Cell parameters from 6598 reflections</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>b</italic>
 = 12.1587 (17) Å</td>
<td rowspan="1" colspan="1">θ = 2.2–27.5°</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>c</italic>
 = 20.650 (3) Å</td>
<td rowspan="1" colspan="1">µ = 1.66 mm<sup>−</sup>
<sup>1</sup>
</td>
</tr>
<tr><td rowspan="1" colspan="1">α = 96.1072 (19)°</td>
<td rowspan="1" colspan="1"><italic>T</italic>
 = 193 K</td>
</tr>
<tr><td rowspan="1" colspan="1">β = 96.1001 (18)°</td>
<td rowspan="1" colspan="1">Block, yellow</td>
</tr>
<tr><td rowspan="1" colspan="1">γ = 98.9737 (19)°</td>
<td rowspan="1" colspan="1">0.39 × 0.36 × 0.14 mm</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>V</italic>
 = 2902.1 (7)  Å<sup>3</sup>
</td>
<td rowspan="1" colspan="1"></td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewrapdatacollectionlong"><title>Data collection</title>
<table-wrap position="anchor" id="d1e290"><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">Bruker PLATFORM diffractometer with SMART 1000 CCD area-detector</td>
<td rowspan="1" colspan="1">13091 independent reflections</td>
</tr>
<tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td>
<td rowspan="1" colspan="1">11816 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>
 = 0.026</td>
</tr>
<tr><td rowspan="1" colspan="1">Detector resolution: 8.192 pixels mm<sup>-1</sup>
</td>
<td rowspan="1" colspan="1">θ<sub>max</sub>
 = 27.6°, θ<sub>min</sub>
 = 1.7°</td>
</tr>
<tr><td rowspan="1" colspan="1">ω scans</td>
<td rowspan="1" colspan="1"><italic>h</italic>
 = −15→15</td>
</tr>
<tr><td rowspan="1" colspan="1">Absorption correction: integration (<italic>SHELXTL</italic>
; Sheldrick, 2008)</td>
<td rowspan="1" colspan="1"><italic>k</italic>
 = −15→15</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>T</italic>
<sub>min</sub>
 = 0.564, <italic>T</italic>
<sub>max</sub>
 = 0.801</td>
<td rowspan="1" colspan="1"><italic>l</italic>
 = −26→26</td>
</tr>
<tr><td rowspan="1" colspan="1">24467 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="d1e410"><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>
)] = 0.035</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>
) = 0.096</td>
<td rowspan="1" colspan="1">H atoms treated by a mixture of independent and constrained refinement</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>S</italic>
 = 1.10</td>
<td rowspan="1" colspan="1"><italic>w</italic>
  =  1/[σ<sup>2</sup>
(<italic>F</italic>
<sub>o</sub>
<sup>2</sup>
) + (0.0559<italic>P</italic>
)<sup>2</sup>
 + 1.1666<italic>P</italic>
]  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">13091 reflections</td>
<td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub>
 = 0.001</td>
</tr>
<tr><td rowspan="1" colspan="1">669 parameters</td>
<td rowspan="1" colspan="1">Δρ<sub>max</sub>
 = 1.91 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>
 = −1.74 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="d1e567"><table rules="all" frame="box" style="table-layout:fixed"><tr><td rowspan="1" colspan="1">Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.</td>
</tr>
<tr><td rowspan="1" colspan="1">Refinement. Refinement of <italic>F</italic>
<sup>2</sup>
 against ALL reflections. The weighted <italic>R</italic>-factor
<italic>wR</italic>
 and goodness 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 threshold expression of <italic>F</italic>
<sup>2</sup> >
σ(<italic>F</italic>
<sup>2</sup>
) is used only for calculating <italic>R</italic>
-factors(gt) <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="d1e666"><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">Occ. (<1)</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb</td>
<td rowspan="1" colspan="1">0.234066 (10)</td>
<td rowspan="1" colspan="1">0.515202 (10)</td>
<td rowspan="1" colspan="1">0.265241 (5)</td>
<td rowspan="1" colspan="1">0.02764 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N11</td>
<td rowspan="1" colspan="1">0.3907 (2)</td>
<td rowspan="1" colspan="1">0.6798 (2)</td>
<td rowspan="1" colspan="1">0.38158 (12)</td>
<td rowspan="1" colspan="1">0.0297 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N12</td>
<td rowspan="1" colspan="1">0.2745 (2)</td>
<td rowspan="1" colspan="1">0.6378 (2)</td>
<td rowspan="1" colspan="1">0.37444 (13)</td>
<td rowspan="1" colspan="1">0.0336 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N21</td>
<td rowspan="1" colspan="1">0.4464 (2)</td>
<td rowspan="1" colspan="1">0.4848 (2)</td>
<td rowspan="1" colspan="1">0.37392 (12)</td>
<td rowspan="1" colspan="1">0.0298 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N22</td>
<td rowspan="1" colspan="1">0.3382 (2)</td>
<td rowspan="1" colspan="1">0.4220 (2)</td>
<td rowspan="1" colspan="1">0.35293 (12)</td>
<td rowspan="1" colspan="1">0.0284 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N31</td>
<td rowspan="1" colspan="1">0.5013 (2)</td>
<td rowspan="1" colspan="1">0.6172 (2)</td>
<td rowspan="1" colspan="1">0.28709 (12)</td>
<td rowspan="1" colspan="1">0.0292 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N32</td>
<td rowspan="1" colspan="1">0.4151 (2)</td>
<td rowspan="1" colspan="1">0.6195 (2)</td>
<td rowspan="1" colspan="1">0.23690 (12)</td>
<td rowspan="1" colspan="1">0.0298 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N41</td>
<td rowspan="1" colspan="1">0.1149 (2)</td>
<td rowspan="1" colspan="1">0.3613 (2)</td>
<td rowspan="1" colspan="1">0.14689 (12)</td>
<td rowspan="1" colspan="1">0.0285 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N42</td>
<td rowspan="1" colspan="1">0.2164 (2)</td>
<td rowspan="1" colspan="1">0.3423 (2)</td>
<td rowspan="1" colspan="1">0.18056 (12)</td>
<td rowspan="1" colspan="1">0.0295 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N51</td>
<td rowspan="1" colspan="1">−0.0193 (2)</td>
<td rowspan="1" colspan="1">0.4987 (2)</td>
<td rowspan="1" colspan="1">0.17664 (12)</td>
<td rowspan="1" colspan="1">0.0300 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N52</td>
<td rowspan="1" colspan="1">0.0614 (2)</td>
<td rowspan="1" colspan="1">0.5913 (2)</td>
<td rowspan="1" colspan="1">0.20427 (12)</td>
<td rowspan="1" colspan="1">0.0301 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N61</td>
<td rowspan="1" colspan="1">−0.0833 (2)</td>
<td rowspan="1" colspan="1">0.2865 (2)</td>
<td rowspan="1" colspan="1">0.17723 (12)</td>
<td rowspan="1" colspan="1">0.0309 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N62</td>
<td rowspan="1" colspan="1">−0.0989 (2)</td>
<td rowspan="1" colspan="1">0.2068 (2)</td>
<td rowspan="1" colspan="1">0.12360 (12)</td>
<td rowspan="1" colspan="1">0.0319 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C13</td>
<td rowspan="1" colspan="1">0.2270 (3)</td>
<td rowspan="1" colspan="1">0.7081 (3)</td>
<td rowspan="1" colspan="1">0.41270 (15)</td>
<td rowspan="1" colspan="1">0.0358 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C14</td>
<td rowspan="1" colspan="1">0.3108 (3)</td>
<td rowspan="1" colspan="1">0.7970 (3)</td>
<td rowspan="1" colspan="1">0.44379 (16)</td>
<td rowspan="1" colspan="1">0.0401 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H14</td>
<td rowspan="1" colspan="1">0.2993</td>
<td rowspan="1" colspan="1">0.8586</td>
<td rowspan="1" colspan="1">0.4732</td>
<td rowspan="1" colspan="1">0.048*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C15</td>
<td rowspan="1" colspan="1">0.4133 (3)</td>
<td rowspan="1" colspan="1">0.7774 (3)</td>
<td rowspan="1" colspan="1">0.42319 (14)</td>
<td rowspan="1" colspan="1">0.0333 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C16</td>
<td rowspan="1" colspan="1">0.5295 (3)</td>
<td rowspan="1" colspan="1">0.8479 (3)</td>
<td rowspan="1" colspan="1">0.43985 (18)</td>
<td rowspan="1" colspan="1">0.0443 (8)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H16A</td>
<td rowspan="1" colspan="1">0.5523</td>
<td rowspan="1" colspan="1">0.8812</td>
<td rowspan="1" colspan="1">0.4010</td>
<td rowspan="1" colspan="1">0.053*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H16B</td>
<td rowspan="1" colspan="1">0.5853</td>
<td rowspan="1" colspan="1">0.8012</td>
<td rowspan="1" colspan="1">0.4542</td>
<td rowspan="1" colspan="1">0.053*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H16C</td>
<td rowspan="1" colspan="1">0.5273</td>
<td rowspan="1" colspan="1">0.9078</td>
<td rowspan="1" colspan="1">0.4752</td>
<td rowspan="1" colspan="1">0.053*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C17</td>
<td rowspan="1" colspan="1">0.1020 (3)</td>
<td rowspan="1" colspan="1">0.6831 (3)</td>
<td rowspan="1" colspan="1">0.42488 (16)</td>
<td rowspan="1" colspan="1">0.0439 (8)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C18</td>
<td rowspan="1" colspan="1">0.0510 (4)</td>
<td rowspan="1" colspan="1">0.7912 (5)</td>
<td rowspan="1" colspan="1">0.4291 (2)</td>
<td rowspan="1" colspan="1">0.0684 (13)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H18A</td>
<td rowspan="1" colspan="1">−0.0298</td>
<td rowspan="1" colspan="1">0.7743</td>
<td rowspan="1" colspan="1">0.4365</td>
<td rowspan="1" colspan="1">0.082*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H18B</td>
<td rowspan="1" colspan="1">0.0561</td>
<td rowspan="1" colspan="1">0.8241</td>
<td rowspan="1" colspan="1">0.3880</td>
<td rowspan="1" colspan="1">0.082*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H18C</td>
<td rowspan="1" colspan="1">0.0940</td>
<td rowspan="1" colspan="1">0.8446</td>
<td rowspan="1" colspan="1">0.4656</td>
<td rowspan="1" colspan="1">0.082*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C19</td>
<td rowspan="1" colspan="1">0.0306 (3)</td>
<td rowspan="1" colspan="1">0.5959 (5)</td>
<td rowspan="1" colspan="1">0.3714 (2)</td>
<td rowspan="1" colspan="1">0.0634 (13)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H19A</td>
<td rowspan="1" colspan="1">−0.0494</td>
<td rowspan="1" colspan="1">0.5822</td>
<td rowspan="1" colspan="1">0.3807</td>
<td rowspan="1" colspan="1">0.076*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H19B</td>
<td rowspan="1" colspan="1">0.0617</td>
<td rowspan="1" colspan="1">0.5258</td>
<td rowspan="1" colspan="1">0.3706</td>
<td rowspan="1" colspan="1">0.076*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H19C</td>
<td rowspan="1" colspan="1">0.0336</td>
<td rowspan="1" colspan="1">0.6239</td>
<td rowspan="1" colspan="1">0.3287</td>
<td rowspan="1" colspan="1">0.076*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C20</td>
<td rowspan="1" colspan="1">0.0994 (3)</td>
<td rowspan="1" colspan="1">0.6359 (4)</td>
<td rowspan="1" colspan="1">0.49101 (19)</td>
<td rowspan="1" colspan="1">0.0540 (10)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H20A</td>
<td rowspan="1" colspan="1">0.0197</td>
<td rowspan="1" colspan="1">0.6198</td>
<td rowspan="1" colspan="1">0.5005</td>
<td rowspan="1" colspan="1">0.065*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H20B</td>
<td rowspan="1" colspan="1">0.1447</td>
<td rowspan="1" colspan="1">0.6912</td>
<td rowspan="1" colspan="1">0.5259</td>
<td rowspan="1" colspan="1">0.065*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H20C</td>
<td rowspan="1" colspan="1">0.1322</td>
<td rowspan="1" colspan="1">0.5666</td>
<td rowspan="1" colspan="1">0.4888</td>
<td rowspan="1" colspan="1">0.065*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C23</td>
<td rowspan="1" colspan="1">0.3343 (3)</td>
<td rowspan="1" colspan="1">0.3281 (3)</td>
<td rowspan="1" colspan="1">0.38186 (15)</td>
<td rowspan="1" colspan="1">0.0342 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C24</td>
<td rowspan="1" colspan="1">0.4389 (3)</td>
<td rowspan="1" colspan="1">0.3287 (3)</td>
<td rowspan="1" colspan="1">0.42021 (17)</td>
<td rowspan="1" colspan="1">0.0406 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H24</td>
<td rowspan="1" colspan="1">0.4587</td>
<td rowspan="1" colspan="1">0.2717</td>
<td rowspan="1" colspan="1">0.4452</td>
<td rowspan="1" colspan="1">0.049*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C25</td>
<td rowspan="1" colspan="1">0.5073 (3)</td>
<td rowspan="1" colspan="1">0.4286 (3)</td>
<td rowspan="1" colspan="1">0.41436 (16)</td>
<td rowspan="1" colspan="1">0.0365 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C26</td>
<td rowspan="1" colspan="1">0.6280 (3)</td>
<td rowspan="1" colspan="1">0.4703 (3)</td>
<td rowspan="1" colspan="1">0.44679 (19)</td>
<td rowspan="1" colspan="1">0.0484 (9)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H26A</td>
<td rowspan="1" colspan="1">0.6471</td>
<td rowspan="1" colspan="1">0.4230</td>
<td rowspan="1" colspan="1">0.4805</td>
<td rowspan="1" colspan="1">0.058*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H26B</td>
<td rowspan="1" colspan="1">0.6343</td>
<td rowspan="1" colspan="1">0.5479</td>
<td rowspan="1" colspan="1">0.4671</td>
<td rowspan="1" colspan="1">0.058*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H26C</td>
<td rowspan="1" colspan="1">0.6815</td>
<td rowspan="1" colspan="1">0.4672</td>
<td rowspan="1" colspan="1">0.4139</td>
<td rowspan="1" colspan="1">0.058*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C27</td>
<td rowspan="1" colspan="1">0.2263 (3)</td>
<td rowspan="1" colspan="1">0.2412 (3)</td>
<td rowspan="1" colspan="1">0.37726 (17)</td>
<td rowspan="1" colspan="1">0.0412 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C28A</td>
<td rowspan="1" colspan="1">0.1367 (6)</td>
<td rowspan="1" colspan="1">0.2548 (6)</td>
<td rowspan="1" colspan="1">0.3271 (3)</td>
<td rowspan="1" colspan="1">0.0577 (17)</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">H28A</td>
<td rowspan="1" colspan="1">0.1684</td>
<td rowspan="1" colspan="1">0.2600</td>
<td rowspan="1" colspan="1">0.2854</td>
<td rowspan="1" colspan="1">0.069*</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">H28B</td>
<td rowspan="1" colspan="1">0.1066</td>
<td rowspan="1" colspan="1">0.3234</td>
<td rowspan="1" colspan="1">0.3398</td>
<td rowspan="1" colspan="1">0.069*</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">H28C</td>
<td rowspan="1" colspan="1">0.0745</td>
<td rowspan="1" colspan="1">0.1900</td>
<td rowspan="1" colspan="1">0.3221</td>
<td rowspan="1" colspan="1">0.069*</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">C29A</td>
<td rowspan="1" colspan="1">0.2611 (6)</td>
<td rowspan="1" colspan="1">0.1207 (5)</td>
<td rowspan="1" colspan="1">0.3635 (4)</td>
<td rowspan="1" colspan="1">0.0610 (17)</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">H29A</td>
<td rowspan="1" colspan="1">0.3170</td>
<td rowspan="1" colspan="1">0.1097</td>
<td rowspan="1" colspan="1">0.3997</td>
<td rowspan="1" colspan="1">0.073*</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">H29B</td>
<td rowspan="1" colspan="1">0.2953</td>
<td rowspan="1" colspan="1">0.1152</td>
<td rowspan="1" colspan="1">0.3224</td>
<td rowspan="1" colspan="1">0.073*</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">H29C</td>
<td rowspan="1" colspan="1">0.1924</td>
<td rowspan="1" colspan="1">0.0630</td>
<td rowspan="1" colspan="1">0.3600</td>
<td rowspan="1" colspan="1">0.073*</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">C30A</td>
<td rowspan="1" colspan="1">0.1861 (6)</td>
<td rowspan="1" colspan="1">0.2466 (7)</td>
<td rowspan="1" colspan="1">0.4457 (3)</td>
<td rowspan="1" colspan="1">0.0609 (17)</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">H30A</td>
<td rowspan="1" colspan="1">0.2526</td>
<td rowspan="1" colspan="1">0.2525</td>
<td rowspan="1" colspan="1">0.4791</td>
<td rowspan="1" colspan="1">0.073*</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">H30B</td>
<td rowspan="1" colspan="1">0.1315</td>
<td rowspan="1" colspan="1">0.1784</td>
<td rowspan="1" colspan="1">0.4483</td>
<td rowspan="1" colspan="1">0.073*</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">H30C</td>
<td rowspan="1" colspan="1">0.1486</td>
<td rowspan="1" colspan="1">0.3123</td>
<td rowspan="1" colspan="1">0.4532</td>
<td rowspan="1" colspan="1">0.073*</td>
<td rowspan="1" colspan="1">0.65</td>
</tr>
<tr><td rowspan="1" colspan="1">C28B</td>
<td rowspan="1" colspan="1">0.1896 (12)</td>
<td rowspan="1" colspan="1">0.1808 (11)</td>
<td rowspan="1" colspan="1">0.3063 (6)</td>
<td rowspan="1" colspan="1">0.060 (3)</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">H28D</td>
<td rowspan="1" colspan="1">0.1921</td>
<td rowspan="1" colspan="1">0.2365</td>
<td rowspan="1" colspan="1">0.2753</td>
<td rowspan="1" colspan="1">0.072*</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">H28E</td>
<td rowspan="1" colspan="1">0.1111</td>
<td rowspan="1" colspan="1">0.1389</td>
<td rowspan="1" colspan="1">0.3029</td>
<td rowspan="1" colspan="1">0.072*</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">H28F</td>
<td rowspan="1" colspan="1">0.2423</td>
<td rowspan="1" colspan="1">0.1288</td>
<td rowspan="1" colspan="1">0.2959</td>
<td rowspan="1" colspan="1">0.072*</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">C29B</td>
<td rowspan="1" colspan="1">0.2290 (12)</td>
<td rowspan="1" colspan="1">0.1627 (12)</td>
<td rowspan="1" colspan="1">0.4256 (7)</td>
<td rowspan="1" colspan="1">0.067 (4)</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">H29D</td>
<td rowspan="1" colspan="1">0.1562</td>
<td rowspan="1" colspan="1">0.1098</td>
<td rowspan="1" colspan="1">0.4192</td>
<td rowspan="1" colspan="1">0.080*</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">H29E</td>
<td rowspan="1" colspan="1">0.2400</td>
<td rowspan="1" colspan="1">0.2040</td>
<td rowspan="1" colspan="1">0.4698</td>
<td rowspan="1" colspan="1">0.080*</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">H29F</td>
<td rowspan="1" colspan="1">0.2927</td>
<td rowspan="1" colspan="1">0.1212</td>
<td rowspan="1" colspan="1">0.4203</td>
<td rowspan="1" colspan="1">0.080*</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">C30B</td>
<td rowspan="1" colspan="1">0.1189 (10)</td>
<td rowspan="1" colspan="1">0.3114 (11)</td>
<td rowspan="1" colspan="1">0.3882 (7)</td>
<td rowspan="1" colspan="1">0.057 (3)</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">H30D</td>
<td rowspan="1" colspan="1">0.1209</td>
<td rowspan="1" colspan="1">0.3704</td>
<td rowspan="1" colspan="1">0.3594</td>
<td rowspan="1" colspan="1">0.069*</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">H30E</td>
<td rowspan="1" colspan="1">0.1271</td>
<td rowspan="1" colspan="1">0.3453</td>
<td rowspan="1" colspan="1">0.4341</td>
<td rowspan="1" colspan="1">0.069*</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">H30F</td>
<td rowspan="1" colspan="1">0.0455</td>
<td rowspan="1" colspan="1">0.2597</td>
<td rowspan="1" colspan="1">0.3778</td>
<td rowspan="1" colspan="1">0.069*</td>
<td rowspan="1" colspan="1">0.35</td>
</tr>
<tr><td rowspan="1" colspan="1">C33</td>
<td rowspan="1" colspan="1">0.4685 (3)</td>
<td rowspan="1" colspan="1">0.6383 (3)</td>
<td rowspan="1" colspan="1">0.18325 (15)</td>
<td rowspan="1" colspan="1">0.0335 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C34</td>
<td rowspan="1" colspan="1">0.5866 (3)</td>
<td rowspan="1" colspan="1">0.6460 (3)</td>
<td rowspan="1" colspan="1">0.19885 (16)</td>
<td rowspan="1" colspan="1">0.0397 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H34</td>
<td rowspan="1" colspan="1">0.6434</td>
<td rowspan="1" colspan="1">0.6581</td>
<td rowspan="1" colspan="1">0.1700</td>
<td rowspan="1" colspan="1">0.048*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C35</td>
<td rowspan="1" colspan="1">0.6052 (3)</td>
<td rowspan="1" colspan="1">0.6327 (3)</td>
<td rowspan="1" colspan="1">0.26406 (16)</td>
<td rowspan="1" colspan="1">0.0354 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C36</td>
<td rowspan="1" colspan="1">0.7174 (3)</td>
<td rowspan="1" colspan="1">0.6337 (4)</td>
<td rowspan="1" colspan="1">0.3053 (2)</td>
<td rowspan="1" colspan="1">0.0513 (9)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H36A</td>
<td rowspan="1" colspan="1">0.7164</td>
<td rowspan="1" colspan="1">0.5616</td>
<td rowspan="1" colspan="1">0.3226</td>
<td rowspan="1" colspan="1">0.062*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H36B</td>
<td rowspan="1" colspan="1">0.7287</td>
<td rowspan="1" colspan="1">0.6943</td>
<td rowspan="1" colspan="1">0.3419</td>
<td rowspan="1" colspan="1">0.062*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H36C</td>
<td rowspan="1" colspan="1">0.7804</td>
<td rowspan="1" colspan="1">0.6458</td>
<td rowspan="1" colspan="1">0.2784</td>
<td rowspan="1" colspan="1">0.062*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C37</td>
<td rowspan="1" colspan="1">0.4057 (3)</td>
<td rowspan="1" colspan="1">0.6577 (3)</td>
<td rowspan="1" colspan="1">0.11836 (16)</td>
<td rowspan="1" colspan="1">0.0392 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C38</td>
<td rowspan="1" colspan="1">0.2797 (3)</td>
<td rowspan="1" colspan="1">0.6037 (3)</td>
<td rowspan="1" colspan="1">0.10966 (16)</td>
<td rowspan="1" colspan="1">0.0425 (8)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H38A</td>
<td rowspan="1" colspan="1">0.2425</td>
<td rowspan="1" colspan="1">0.6172</td>
<td rowspan="1" colspan="1">0.0672</td>
<td rowspan="1" colspan="1">0.051*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H38B</td>
<td rowspan="1" colspan="1">0.2416</td>
<td rowspan="1" colspan="1">0.6363</td>
<td rowspan="1" colspan="1">0.1451</td>
<td rowspan="1" colspan="1">0.051*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H38C</td>
<td rowspan="1" colspan="1">0.2738</td>
<td rowspan="1" colspan="1">0.5227</td>
<td rowspan="1" colspan="1">0.1111</td>
<td rowspan="1" colspan="1">0.051*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C39</td>
<td rowspan="1" colspan="1">0.4161 (4)</td>
<td rowspan="1" colspan="1">0.7848 (4)</td>
<td rowspan="1" colspan="1">0.1163 (2)</td>
<td rowspan="1" colspan="1">0.0567 (10)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H39A</td>
<td rowspan="1" colspan="1">0.3771</td>
<td rowspan="1" colspan="1">0.7988</td>
<td rowspan="1" colspan="1">0.0745</td>
<td rowspan="1" colspan="1">0.068*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H39B</td>
<td rowspan="1" colspan="1">0.4975</td>
<td rowspan="1" colspan="1">0.8187</td>
<td rowspan="1" colspan="1">0.1206</td>
<td rowspan="1" colspan="1">0.068*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H39C</td>
<td rowspan="1" colspan="1">0.3803</td>
<td rowspan="1" colspan="1">0.8181</td>
<td rowspan="1" colspan="1">0.1526</td>
<td rowspan="1" colspan="1">0.068*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C40</td>
<td rowspan="1" colspan="1">0.4633 (4)</td>
<td rowspan="1" colspan="1">0.6068 (5)</td>
<td rowspan="1" colspan="1">0.06140 (19)</td>
<td rowspan="1" colspan="1">0.0675 (13)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H40A</td>
<td rowspan="1" colspan="1">0.4234</td>
<td rowspan="1" colspan="1">0.6192</td>
<td rowspan="1" colspan="1">0.0195</td>
<td rowspan="1" colspan="1">0.081*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H40B</td>
<td rowspan="1" colspan="1">0.4592</td>
<td rowspan="1" colspan="1">0.5260</td>
<td rowspan="1" colspan="1">0.0631</td>
<td rowspan="1" colspan="1">0.081*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H40C</td>
<td rowspan="1" colspan="1">0.5441</td>
<td rowspan="1" colspan="1">0.6428</td>
<td rowspan="1" colspan="1">0.0655</td>
<td rowspan="1" colspan="1">0.081*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C43</td>
<td rowspan="1" colspan="1">0.2782 (3)</td>
<td rowspan="1" colspan="1">0.3039 (3)</td>
<td rowspan="1" colspan="1">0.13496 (15)</td>
<td rowspan="1" colspan="1">0.0323 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C44</td>
<td rowspan="1" colspan="1">0.2174 (3)</td>
<td rowspan="1" colspan="1">0.2991 (3)</td>
<td rowspan="1" colspan="1">0.07203 (15)</td>
<td rowspan="1" colspan="1">0.0361 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H44</td>
<td rowspan="1" colspan="1">0.2417</td>
<td rowspan="1" colspan="1">0.2749</td>
<td rowspan="1" colspan="1">0.0313</td>
<td rowspan="1" colspan="1">0.043*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C45</td>
<td rowspan="1" colspan="1">0.1162 (3)</td>
<td rowspan="1" colspan="1">0.3364 (3)</td>
<td rowspan="1" colspan="1">0.08108 (14)</td>
<td rowspan="1" colspan="1">0.0330 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C46</td>
<td rowspan="1" colspan="1">0.0227 (3)</td>
<td rowspan="1" colspan="1">0.3551 (3)</td>
<td rowspan="1" colspan="1">0.03069 (16)</td>
<td rowspan="1" colspan="1">0.0435 (8)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H46A</td>
<td rowspan="1" colspan="1">−0.0443</td>
<td rowspan="1" colspan="1">0.2959</td>
<td rowspan="1" colspan="1">0.0289</td>
<td rowspan="1" colspan="1">0.052*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H46B</td>
<td rowspan="1" colspan="1">0.0504</td>
<td rowspan="1" colspan="1">0.3532</td>
<td rowspan="1" colspan="1">−0.0124</td>
<td rowspan="1" colspan="1">0.052*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H46C</td>
<td rowspan="1" colspan="1">0.0008</td>
<td rowspan="1" colspan="1">0.4283</td>
<td rowspan="1" colspan="1">0.0426</td>
<td rowspan="1" colspan="1">0.052*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C47</td>
<td rowspan="1" colspan="1">0.3911 (3)</td>
<td rowspan="1" colspan="1">0.2634 (3)</td>
<td rowspan="1" colspan="1">0.15263 (16)</td>
<td rowspan="1" colspan="1">0.0367 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C48</td>
<td rowspan="1" colspan="1">0.3633 (4)</td>
<td rowspan="1" colspan="1">0.1369 (3)</td>
<td rowspan="1" colspan="1">0.1577 (2)</td>
<td rowspan="1" colspan="1">0.0541 (9)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H48A</td>
<td rowspan="1" colspan="1">0.4348</td>
<td rowspan="1" colspan="1">0.1085</td>
<td rowspan="1" colspan="1">0.1692</td>
<td rowspan="1" colspan="1">0.065*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H48B</td>
<td rowspan="1" colspan="1">0.3246</td>
<td rowspan="1" colspan="1">0.0973</td>
<td rowspan="1" colspan="1">0.1155</td>
<td rowspan="1" colspan="1">0.065*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H48C</td>
<td rowspan="1" colspan="1">0.3128</td>
<td rowspan="1" colspan="1">0.1243</td>
<td rowspan="1" colspan="1">0.1918</td>
<td rowspan="1" colspan="1">0.065*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C49</td>
<td rowspan="1" colspan="1">0.4683 (4)</td>
<td rowspan="1" colspan="1">0.2803 (4)</td>
<td rowspan="1" colspan="1">0.0987 (2)</td>
<td rowspan="1" colspan="1">0.0608 (11)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H49A</td>
<td rowspan="1" colspan="1">0.5406</td>
<td rowspan="1" colspan="1">0.2536</td>
<td rowspan="1" colspan="1">0.1105</td>
<td rowspan="1" colspan="1">0.073*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H49B</td>
<td rowspan="1" colspan="1">0.4846</td>
<td rowspan="1" colspan="1">0.3603</td>
<td rowspan="1" colspan="1">0.0936</td>
<td rowspan="1" colspan="1">0.073*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H49C</td>
<td rowspan="1" colspan="1">0.4292</td>
<td rowspan="1" colspan="1">0.2379</td>
<td rowspan="1" colspan="1">0.0572</td>
<td rowspan="1" colspan="1">0.073*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C50</td>
<td rowspan="1" colspan="1">0.4547 (3)</td>
<td rowspan="1" colspan="1">0.3237 (4)</td>
<td rowspan="1" colspan="1">0.2175 (2)</td>
<td rowspan="1" colspan="1">0.0537 (10)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H50A</td>
<td rowspan="1" colspan="1">0.5267</td>
<td rowspan="1" colspan="1">0.2952</td>
<td rowspan="1" colspan="1">0.2271</td>
<td rowspan="1" colspan="1">0.064*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H50B</td>
<td rowspan="1" colspan="1">0.4066</td>
<td rowspan="1" colspan="1">0.3103</td>
<td rowspan="1" colspan="1">0.2526</td>
<td rowspan="1" colspan="1">0.064*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H50C</td>
<td rowspan="1" colspan="1">0.4717</td>
<td rowspan="1" colspan="1">0.4044</td>
<td rowspan="1" colspan="1">0.2147</td>
<td rowspan="1" colspan="1">0.064*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C53</td>
<td rowspan="1" colspan="1">0.0184 (3)</td>
<td rowspan="1" colspan="1">0.6813 (3)</td>
<td rowspan="1" colspan="1">0.18775 (14)</td>
<td rowspan="1" colspan="1">0.0317 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C54</td>
<td rowspan="1" colspan="1">−0.0897 (3)</td>
<td rowspan="1" colspan="1">0.6475 (3)</td>
<td rowspan="1" colspan="1">0.15046 (16)</td>
<td rowspan="1" colspan="1">0.0367 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H54</td>
<td rowspan="1" colspan="1">−0.1386</td>
<td rowspan="1" colspan="1">0.6949</td>
<td rowspan="1" colspan="1">0.1330</td>
<td rowspan="1" colspan="1">0.044*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C55</td>
<td rowspan="1" colspan="1">−0.1110 (3)</td>
<td rowspan="1" colspan="1">0.5320 (3)</td>
<td rowspan="1" colspan="1">0.14419 (15)</td>
<td rowspan="1" colspan="1">0.0342 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C56</td>
<td rowspan="1" colspan="1">−0.2151 (3)</td>
<td rowspan="1" colspan="1">0.4535 (3)</td>
<td rowspan="1" colspan="1">0.1098 (2)</td>
<td rowspan="1" colspan="1">0.0494 (9)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H56A</td>
<td rowspan="1" colspan="1">−0.2652</td>
<td rowspan="1" colspan="1">0.4285</td>
<td rowspan="1" colspan="1">0.1421</td>
<td rowspan="1" colspan="1">0.059*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H56B</td>
<td rowspan="1" colspan="1">−0.1913</td>
<td rowspan="1" colspan="1">0.3883</td>
<td rowspan="1" colspan="1">0.0863</td>
<td rowspan="1" colspan="1">0.059*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H56C</td>
<td rowspan="1" colspan="1">−0.2571</td>
<td rowspan="1" colspan="1">0.4923</td>
<td rowspan="1" colspan="1">0.0784</td>
<td rowspan="1" colspan="1">0.059*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C57</td>
<td rowspan="1" colspan="1">0.0799 (3)</td>
<td rowspan="1" colspan="1">0.8017 (3)</td>
<td rowspan="1" colspan="1">0.20749 (16)</td>
<td rowspan="1" colspan="1">0.0386 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C58</td>
<td rowspan="1" colspan="1">0.1913 (3)</td>
<td rowspan="1" colspan="1">0.8086 (3)</td>
<td rowspan="1" colspan="1">0.25287 (19)</td>
<td rowspan="1" colspan="1">0.0451 (8)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H58A</td>
<td rowspan="1" colspan="1">0.2257</td>
<td rowspan="1" colspan="1">0.8875</td>
<td rowspan="1" colspan="1">0.2662</td>
<td rowspan="1" colspan="1">0.054*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H58B</td>
<td rowspan="1" colspan="1">0.2450</td>
<td rowspan="1" colspan="1">0.7703</td>
<td rowspan="1" colspan="1">0.2298</td>
<td rowspan="1" colspan="1">0.054*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H58C</td>
<td rowspan="1" colspan="1">0.1749</td>
<td rowspan="1" colspan="1">0.7724</td>
<td rowspan="1" colspan="1">0.2918</td>
<td rowspan="1" colspan="1">0.054*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C59</td>
<td rowspan="1" colspan="1">0.1047 (4)</td>
<td rowspan="1" colspan="1">0.8533 (3)</td>
<td rowspan="1" colspan="1">0.1446 (2)</td>
<td rowspan="1" colspan="1">0.0529 (9)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H59A</td>
<td rowspan="1" colspan="1">0.1428</td>
<td rowspan="1" colspan="1">0.9315</td>
<td rowspan="1" colspan="1">0.1562</td>
<td rowspan="1" colspan="1">0.063*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H59B</td>
<td rowspan="1" colspan="1">0.0322</td>
<td rowspan="1" colspan="1">0.8506</td>
<td rowspan="1" colspan="1">0.1164</td>
<td rowspan="1" colspan="1">0.063*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H59C</td>
<td rowspan="1" colspan="1">0.1549</td>
<td rowspan="1" colspan="1">0.8107</td>
<td rowspan="1" colspan="1">0.1212</td>
<td rowspan="1" colspan="1">0.063*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C60</td>
<td rowspan="1" colspan="1">−0.0021 (4)</td>
<td rowspan="1" colspan="1">0.8676 (3)</td>
<td rowspan="1" colspan="1">0.2430 (2)</td>
<td rowspan="1" colspan="1">0.0559 (10)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H60A</td>
<td rowspan="1" colspan="1">0.0367</td>
<td rowspan="1" colspan="1">0.9449</td>
<td rowspan="1" colspan="1">0.2576</td>
<td rowspan="1" colspan="1">0.067*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H60B</td>
<td rowspan="1" colspan="1">−0.0236</td>
<td rowspan="1" colspan="1">0.8314</td>
<td rowspan="1" colspan="1">0.2812</td>
<td rowspan="1" colspan="1">0.067*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H60C</td>
<td rowspan="1" colspan="1">−0.0715</td>
<td rowspan="1" colspan="1">0.8683</td>
<td rowspan="1" colspan="1">0.2128</td>
<td rowspan="1" colspan="1">0.067*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C63</td>
<td rowspan="1" colspan="1">−0.1930 (3)</td>
<td rowspan="1" colspan="1">0.1361 (3)</td>
<td rowspan="1" colspan="1">0.12911 (15)</td>
<td rowspan="1" colspan="1">0.0326 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C64</td>
<td rowspan="1" colspan="1">−0.2405 (3)</td>
<td rowspan="1" colspan="1">0.1687 (3)</td>
<td rowspan="1" colspan="1">0.18675 (16)</td>
<td rowspan="1" colspan="1">0.0383 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H64</td>
<td rowspan="1" colspan="1">−0.3075</td>
<td rowspan="1" colspan="1">0.1319</td>
<td rowspan="1" colspan="1">0.2019</td>
<td rowspan="1" colspan="1">0.046*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C65</td>
<td rowspan="1" colspan="1">−0.1688 (3)</td>
<td rowspan="1" colspan="1">0.2649 (3)</td>
<td rowspan="1" colspan="1">0.21601 (15)</td>
<td rowspan="1" colspan="1">0.0361 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C66</td>
<td rowspan="1" colspan="1">−0.1746 (3)</td>
<td rowspan="1" colspan="1">0.3395 (3)</td>
<td rowspan="1" colspan="1">0.27764 (19)</td>
<td rowspan="1" colspan="1">0.0511 (9)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H66A</td>
<td rowspan="1" colspan="1">−0.1673</td>
<td rowspan="1" colspan="1">0.4176</td>
<td rowspan="1" colspan="1">0.2685</td>
<td rowspan="1" colspan="1">0.061*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H66B</td>
<td rowspan="1" colspan="1">−0.1118</td>
<td rowspan="1" colspan="1">0.3324</td>
<td rowspan="1" colspan="1">0.3110</td>
<td rowspan="1" colspan="1">0.061*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H66C</td>
<td rowspan="1" colspan="1">−0.2486</td>
<td rowspan="1" colspan="1">0.3175</td>
<td rowspan="1" colspan="1">0.2938</td>
<td rowspan="1" colspan="1">0.061*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C67</td>
<td rowspan="1" colspan="1">−0.2372 (3)</td>
<td rowspan="1" colspan="1">0.0362 (3)</td>
<td rowspan="1" colspan="1">0.07715 (16)</td>
<td rowspan="1" colspan="1">0.0371 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C68</td>
<td rowspan="1" colspan="1">−0.2400 (5)</td>
<td rowspan="1" colspan="1">−0.0718 (4)</td>
<td rowspan="1" colspan="1">0.1088 (3)</td>
<td rowspan="1" colspan="1">0.0722 (14)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H68A</td>
<td rowspan="1" colspan="1">−0.2658</td>
<td rowspan="1" colspan="1">−0.1365</td>
<td rowspan="1" colspan="1">0.0751</td>
<td rowspan="1" colspan="1">0.087*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H68B</td>
<td rowspan="1" colspan="1">−0.2933</td>
<td rowspan="1" colspan="1">−0.0728</td>
<td rowspan="1" colspan="1">0.1420</td>
<td rowspan="1" colspan="1">0.087*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H68C</td>
<td rowspan="1" colspan="1">−0.1627</td>
<td rowspan="1" colspan="1">−0.0754</td>
<td rowspan="1" colspan="1">0.1297</td>
<td rowspan="1" colspan="1">0.087*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C69</td>
<td rowspan="1" colspan="1">−0.3593 (5)</td>
<td rowspan="1" colspan="1">0.0404 (5)</td>
<td rowspan="1" colspan="1">0.0492 (3)</td>
<td rowspan="1" colspan="1">0.0818 (17)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H69A</td>
<td rowspan="1" colspan="1">−0.3879</td>
<td rowspan="1" colspan="1">−0.0252</td>
<td rowspan="1" colspan="1">0.0164</td>
<td rowspan="1" colspan="1">0.098*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H69B</td>
<td rowspan="1" colspan="1">−0.3610</td>
<td rowspan="1" colspan="1">0.1090</td>
<td rowspan="1" colspan="1">0.0284</td>
<td rowspan="1" colspan="1">0.098*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H69C</td>
<td rowspan="1" colspan="1">−0.4082</td>
<td rowspan="1" colspan="1">0.0401</td>
<td rowspan="1" colspan="1">0.0845</td>
<td rowspan="1" colspan="1">0.098*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C70</td>
<td rowspan="1" colspan="1">−0.1604 (5)</td>
<td rowspan="1" colspan="1">0.0318 (5)</td>
<td rowspan="1" colspan="1">0.0236 (3)</td>
<td rowspan="1" colspan="1">0.095 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H70A</td>
<td rowspan="1" colspan="1">−0.1889</td>
<td rowspan="1" colspan="1">−0.0355</td>
<td rowspan="1" colspan="1">−0.0079</td>
<td rowspan="1" colspan="1">0.114*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H70B</td>
<td rowspan="1" colspan="1">−0.0819</td>
<td rowspan="1" colspan="1">0.0292</td>
<td rowspan="1" colspan="1">0.0428</td>
<td rowspan="1" colspan="1">0.114*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H70C</td>
<td rowspan="1" colspan="1">−0.1606</td>
<td rowspan="1" colspan="1">0.0987</td>
<td rowspan="1" colspan="1">0.0010</td>
<td rowspan="1" colspan="1">0.114*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">B1</td>
<td rowspan="1" colspan="1">0.4809 (3)</td>
<td rowspan="1" colspan="1">0.6082 (3)</td>
<td rowspan="1" colspan="1">0.35989 (16)</td>
<td rowspan="1" colspan="1">0.0293 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H1B</td>
<td rowspan="1" colspan="1">0.5555</td>
<td rowspan="1" colspan="1">0.6397</td>
<td rowspan="1" colspan="1">0.3878</td>
<td rowspan="1" colspan="1">0.035*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">B2</td>
<td rowspan="1" colspan="1">0.0173 (3)</td>
<td rowspan="1" colspan="1">0.3843 (3)</td>
<td rowspan="1" colspan="1">0.18781 (16)</td>
<td rowspan="1" colspan="1">0.0279 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H2B</td>
<td rowspan="1" colspan="1">0.062 (3)</td>
<td rowspan="1" colspan="1">0.396 (3)</td>
<td rowspan="1" colspan="1">0.2413 (17)</td>
<td rowspan="1" colspan="1">0.032 (9)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C1S</td>
<td rowspan="1" colspan="1">0.7433 (4)</td>
<td rowspan="1" colspan="1">0.0308 (4)</td>
<td rowspan="1" colspan="1">0.3474 (2)</td>
<td rowspan="1" colspan="1">0.0631 (11)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C2S</td>
<td rowspan="1" colspan="1">0.6933 (5)</td>
<td rowspan="1" colspan="1">−0.0606 (4)</td>
<td rowspan="1" colspan="1">0.3026 (2)</td>
<td rowspan="1" colspan="1">0.0618 (11)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H2S</td>
<td rowspan="1" colspan="1">0.7379</td>
<td rowspan="1" colspan="1">−0.1156</td>
<td rowspan="1" colspan="1">0.2895</td>
<td rowspan="1" colspan="1">0.074*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C3S</td>
<td rowspan="1" colspan="1">0.5813 (5)</td>
<td rowspan="1" colspan="1">−0.0732 (4)</td>
<td rowspan="1" colspan="1">0.2769 (2)</td>
<td rowspan="1" colspan="1">0.0708 (13)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H3S</td>
<td rowspan="1" colspan="1">0.5484</td>
<td rowspan="1" colspan="1">−0.1382</td>
<td rowspan="1" colspan="1">0.2472</td>
<td rowspan="1" colspan="1">0.085*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C4S</td>
<td rowspan="1" colspan="1">0.5155 (5)</td>
<td rowspan="1" colspan="1">0.0042 (5)</td>
<td rowspan="1" colspan="1">0.2924 (3)</td>
<td rowspan="1" colspan="1">0.0787 (15)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H4S</td>
<td rowspan="1" colspan="1">0.4373</td>
<td rowspan="1" colspan="1">−0.0059</td>
<td rowspan="1" colspan="1">0.2737</td>
<td rowspan="1" colspan="1">0.094*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C5S</td>
<td rowspan="1" colspan="1">0.5635 (6)</td>
<td rowspan="1" colspan="1">0.0986 (5)</td>
<td rowspan="1" colspan="1">0.3358 (3)</td>
<td rowspan="1" colspan="1">0.0779 (15)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H5S</td>
<td rowspan="1" colspan="1">0.5190</td>
<td rowspan="1" colspan="1">0.1550</td>
<td rowspan="1" colspan="1">0.3462</td>
<td rowspan="1" colspan="1">0.093*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C6S</td>
<td rowspan="1" colspan="1">0.6761 (5)</td>
<td rowspan="1" colspan="1">0.1104 (4)</td>
<td rowspan="1" colspan="1">0.3640 (2)</td>
<td rowspan="1" colspan="1">0.0647 (12)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H6S</td>
<td rowspan="1" colspan="1">0.7080</td>
<td rowspan="1" colspan="1">0.1739</td>
<td rowspan="1" colspan="1">0.3951</td>
<td rowspan="1" colspan="1">0.078*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C7S</td>
<td rowspan="1" colspan="1">0.8648 (6)</td>
<td rowspan="1" colspan="1">0.0440 (7)</td>
<td rowspan="1" colspan="1">0.3760 (4)</td>
<td rowspan="1" colspan="1">0.127 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H7SA</td>
<td rowspan="1" colspan="1">0.9102</td>
<td rowspan="1" colspan="1">0.0164</td>
<td rowspan="1" colspan="1">0.3427</td>
<td rowspan="1" colspan="1">0.152*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H7SB</td>
<td rowspan="1" colspan="1">0.8706</td>
<td rowspan="1" colspan="1">0.0008</td>
<td rowspan="1" colspan="1">0.4134</td>
<td rowspan="1" colspan="1">0.152*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H7SC</td>
<td rowspan="1" colspan="1">0.8945</td>
<td rowspan="1" colspan="1">0.1234</td>
<td rowspan="1" colspan="1">0.3910</td>
<td rowspan="1" colspan="1">0.152*</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="d1e2882"><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">Yb</td>
<td rowspan="1" colspan="1">0.02238 (7)</td>
<td rowspan="1" colspan="1">0.03397 (8)</td>
<td rowspan="1" colspan="1">0.02434 (7)</td>
<td rowspan="1" colspan="1">0.00150 (5)</td>
<td rowspan="1" colspan="1">0.00309 (4)</td>
<td rowspan="1" colspan="1">−0.00177 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N11</td>
<td rowspan="1" colspan="1">0.0299 (13)</td>
<td rowspan="1" colspan="1">0.0335 (13)</td>
<td rowspan="1" colspan="1">0.0243 (11)</td>
<td rowspan="1" colspan="1">0.0036 (10)</td>
<td rowspan="1" colspan="1">0.0042 (9)</td>
<td rowspan="1" colspan="1">−0.0006 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12</td>
<td rowspan="1" colspan="1">0.0279 (13)</td>
<td rowspan="1" colspan="1">0.0408 (14)</td>
<td rowspan="1" colspan="1">0.0299 (12)</td>
<td rowspan="1" colspan="1">0.0057 (11)</td>
<td rowspan="1" colspan="1">0.0026 (10)</td>
<td rowspan="1" colspan="1">−0.0037 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">N21</td>
<td rowspan="1" colspan="1">0.0264 (12)</td>
<td rowspan="1" colspan="1">0.0340 (13)</td>
<td rowspan="1" colspan="1">0.0278 (11)</td>
<td rowspan="1" colspan="1">0.0037 (10)</td>
<td rowspan="1" colspan="1">0.0033 (9)</td>
<td rowspan="1" colspan="1">0.0014 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22</td>
<td rowspan="1" colspan="1">0.0244 (12)</td>
<td rowspan="1" colspan="1">0.0296 (12)</td>
<td rowspan="1" colspan="1">0.0301 (12)</td>
<td rowspan="1" colspan="1">0.0008 (10)</td>
<td rowspan="1" colspan="1">0.0056 (9)</td>
<td rowspan="1" colspan="1">0.0018 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">N31</td>
<td rowspan="1" colspan="1">0.0242 (12)</td>
<td rowspan="1" colspan="1">0.0309 (12)</td>
<td rowspan="1" colspan="1">0.0322 (12)</td>
<td rowspan="1" colspan="1">0.0033 (10)</td>
<td rowspan="1" colspan="1">0.0074 (9)</td>
<td rowspan="1" colspan="1">0.0006 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32</td>
<td rowspan="1" colspan="1">0.0285 (13)</td>
<td rowspan="1" colspan="1">0.0329 (12)</td>
<td rowspan="1" colspan="1">0.0267 (11)</td>
<td rowspan="1" colspan="1">0.0003 (10)</td>
<td rowspan="1" colspan="1">0.0068 (9)</td>
<td rowspan="1" colspan="1">0.0017 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">N41</td>
<td rowspan="1" colspan="1">0.0249 (12)</td>
<td rowspan="1" colspan="1">0.0331 (13)</td>
<td rowspan="1" colspan="1">0.0263 (11)</td>
<td rowspan="1" colspan="1">0.0007 (10)</td>
<td rowspan="1" colspan="1">0.0052 (9)</td>
<td rowspan="1" colspan="1">0.0020 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42</td>
<td rowspan="1" colspan="1">0.0250 (12)</td>
<td rowspan="1" colspan="1">0.0337 (13)</td>
<td rowspan="1" colspan="1">0.0279 (12)</td>
<td rowspan="1" colspan="1">0.0019 (10)</td>
<td rowspan="1" colspan="1">0.0049 (9)</td>
<td rowspan="1" colspan="1">−0.0020 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">N51</td>
<td rowspan="1" colspan="1">0.0245 (12)</td>
<td rowspan="1" colspan="1">0.0345 (13)</td>
<td rowspan="1" colspan="1">0.0289 (12)</td>
<td rowspan="1" colspan="1">0.0012 (10)</td>
<td rowspan="1" colspan="1">0.0028 (9)</td>
<td rowspan="1" colspan="1">0.0006 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52</td>
<td rowspan="1" colspan="1">0.0253 (12)</td>
<td rowspan="1" colspan="1">0.0344 (13)</td>
<td rowspan="1" colspan="1">0.0283 (12)</td>
<td rowspan="1" colspan="1">0.0006 (10)</td>
<td rowspan="1" colspan="1">0.0035 (9)</td>
<td rowspan="1" colspan="1">0.0001 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">N61</td>
<td rowspan="1" colspan="1">0.0268 (12)</td>
<td rowspan="1" colspan="1">0.0333 (13)</td>
<td rowspan="1" colspan="1">0.0305 (12)</td>
<td rowspan="1" colspan="1">−0.0014 (10)</td>
<td rowspan="1" colspan="1">0.0082 (10)</td>
<td rowspan="1" colspan="1">−0.0002 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">N62</td>
<td rowspan="1" colspan="1">0.0287 (13)</td>
<td rowspan="1" colspan="1">0.0346 (13)</td>
<td rowspan="1" colspan="1">0.0301 (12)</td>
<td rowspan="1" colspan="1">0.0002 (10)</td>
<td rowspan="1" colspan="1">0.0052 (10)</td>
<td rowspan="1" colspan="1">−0.0004 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">C13</td>
<td rowspan="1" colspan="1">0.0384 (17)</td>
<td rowspan="1" colspan="1">0.0443 (17)</td>
<td rowspan="1" colspan="1">0.0261 (14)</td>
<td rowspan="1" colspan="1">0.0124 (14)</td>
<td rowspan="1" colspan="1">0.0073 (12)</td>
<td rowspan="1" colspan="1">−0.0013 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14</td>
<td rowspan="1" colspan="1">0.049 (2)</td>
<td rowspan="1" colspan="1">0.0404 (17)</td>
<td rowspan="1" colspan="1">0.0315 (15)</td>
<td rowspan="1" colspan="1">0.0105 (15)</td>
<td rowspan="1" colspan="1">0.0098 (14)</td>
<td rowspan="1" colspan="1">−0.0035 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C15</td>
<td rowspan="1" colspan="1">0.0418 (17)</td>
<td rowspan="1" colspan="1">0.0312 (15)</td>
<td rowspan="1" colspan="1">0.0255 (13)</td>
<td rowspan="1" colspan="1">0.0026 (13)</td>
<td rowspan="1" colspan="1">0.0060 (12)</td>
<td rowspan="1" colspan="1">0.0008 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">C16</td>
<td rowspan="1" colspan="1">0.050 (2)</td>
<td rowspan="1" colspan="1">0.0354 (17)</td>
<td rowspan="1" colspan="1">0.0430 (18)</td>
<td rowspan="1" colspan="1">−0.0054 (15)</td>
<td rowspan="1" colspan="1">0.0078 (15)</td>
<td rowspan="1" colspan="1">0.0014 (14)</td>
</tr>
<tr><td rowspan="1" colspan="1">C17</td>
<td rowspan="1" colspan="1">0.0340 (17)</td>
<td rowspan="1" colspan="1">0.065 (2)</td>
<td rowspan="1" colspan="1">0.0340 (16)</td>
<td rowspan="1" colspan="1">0.0173 (16)</td>
<td rowspan="1" colspan="1">0.0083 (13)</td>
<td rowspan="1" colspan="1">−0.0032 (15)</td>
</tr>
<tr><td rowspan="1" colspan="1">C18</td>
<td rowspan="1" colspan="1">0.066 (3)</td>
<td rowspan="1" colspan="1">0.091 (4)</td>
<td rowspan="1" colspan="1">0.061 (3)</td>
<td rowspan="1" colspan="1">0.044 (3)</td>
<td rowspan="1" colspan="1">0.021 (2)</td>
<td rowspan="1" colspan="1">0.007 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C19</td>
<td rowspan="1" colspan="1">0.0305 (19)</td>
<td rowspan="1" colspan="1">0.103 (4)</td>
<td rowspan="1" colspan="1">0.049 (2)</td>
<td rowspan="1" colspan="1">0.006 (2)</td>
<td rowspan="1" colspan="1">0.0065 (16)</td>
<td rowspan="1" colspan="1">−0.018 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C20</td>
<td rowspan="1" colspan="1">0.039 (2)</td>
<td rowspan="1" colspan="1">0.079 (3)</td>
<td rowspan="1" colspan="1">0.0436 (19)</td>
<td rowspan="1" colspan="1">0.0042 (19)</td>
<td rowspan="1" colspan="1">0.0140 (15)</td>
<td rowspan="1" colspan="1">0.0048 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C23</td>
<td rowspan="1" colspan="1">0.0369 (17)</td>
<td rowspan="1" colspan="1">0.0362 (16)</td>
<td rowspan="1" colspan="1">0.0296 (14)</td>
<td rowspan="1" colspan="1">0.0042 (13)</td>
<td rowspan="1" colspan="1">0.0078 (12)</td>
<td rowspan="1" colspan="1">0.0040 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">C24</td>
<td rowspan="1" colspan="1">0.0408 (18)</td>
<td rowspan="1" colspan="1">0.0419 (18)</td>
<td rowspan="1" colspan="1">0.0413 (17)</td>
<td rowspan="1" colspan="1">0.0073 (15)</td>
<td rowspan="1" colspan="1">0.0069 (14)</td>
<td rowspan="1" colspan="1">0.0127 (14)</td>
</tr>
<tr><td rowspan="1" colspan="1">C25</td>
<td rowspan="1" colspan="1">0.0342 (16)</td>
<td rowspan="1" colspan="1">0.0413 (17)</td>
<td rowspan="1" colspan="1">0.0353 (15)</td>
<td rowspan="1" colspan="1">0.0083 (13)</td>
<td rowspan="1" colspan="1">0.0048 (12)</td>
<td rowspan="1" colspan="1">0.0078 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C26</td>
<td rowspan="1" colspan="1">0.0354 (18)</td>
<td rowspan="1" colspan="1">0.060 (2)</td>
<td rowspan="1" colspan="1">0.050 (2)</td>
<td rowspan="1" colspan="1">0.0091 (16)</td>
<td rowspan="1" colspan="1">−0.0050 (15)</td>
<td rowspan="1" colspan="1">0.0159 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27</td>
<td rowspan="1" colspan="1">0.0426 (19)</td>
<td rowspan="1" colspan="1">0.0380 (17)</td>
<td rowspan="1" colspan="1">0.0414 (17)</td>
<td rowspan="1" colspan="1">−0.0034 (14)</td>
<td rowspan="1" colspan="1">0.0114 (14)</td>
<td rowspan="1" colspan="1">0.0062 (14)</td>
</tr>
<tr><td rowspan="1" colspan="1">C28A</td>
<td rowspan="1" colspan="1">0.043 (3)</td>
<td rowspan="1" colspan="1">0.067 (4)</td>
<td rowspan="1" colspan="1">0.060 (4)</td>
<td rowspan="1" colspan="1">−0.008 (3)</td>
<td rowspan="1" colspan="1">−0.003 (3)</td>
<td rowspan="1" colspan="1">0.029 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C29A</td>
<td rowspan="1" colspan="1">0.059 (4)</td>
<td rowspan="1" colspan="1">0.041 (3)</td>
<td rowspan="1" colspan="1">0.080 (5)</td>
<td rowspan="1" colspan="1">−0.002 (3)</td>
<td rowspan="1" colspan="1">0.011 (3)</td>
<td rowspan="1" colspan="1">0.006 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C30A</td>
<td rowspan="1" colspan="1">0.047 (4)</td>
<td rowspan="1" colspan="1">0.081 (5)</td>
<td rowspan="1" colspan="1">0.052 (4)</td>
<td rowspan="1" colspan="1">−0.004 (3)</td>
<td rowspan="1" colspan="1">0.017 (3)</td>
<td rowspan="1" colspan="1">0.010 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C28B</td>
<td rowspan="1" colspan="1">0.064 (8)</td>
<td rowspan="1" colspan="1">0.052 (7)</td>
<td rowspan="1" colspan="1">0.053 (7)</td>
<td rowspan="1" colspan="1">−0.017 (6)</td>
<td rowspan="1" colspan="1">0.015 (6)</td>
<td rowspan="1" colspan="1">−0.011 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C29B</td>
<td rowspan="1" colspan="1">0.058 (8)</td>
<td rowspan="1" colspan="1">0.069 (8)</td>
<td rowspan="1" colspan="1">0.076 (9)</td>
<td rowspan="1" colspan="1">−0.005 (7)</td>
<td rowspan="1" colspan="1">0.005 (6)</td>
<td rowspan="1" colspan="1">0.044 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">C30B</td>
<td rowspan="1" colspan="1">0.036 (6)</td>
<td rowspan="1" colspan="1">0.061 (7)</td>
<td rowspan="1" colspan="1">0.077 (8)</td>
<td rowspan="1" colspan="1">0.000 (5)</td>
<td rowspan="1" colspan="1">0.026 (5)</td>
<td rowspan="1" colspan="1">0.013 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">C33</td>
<td rowspan="1" colspan="1">0.0346 (16)</td>
<td rowspan="1" colspan="1">0.0337 (15)</td>
<td rowspan="1" colspan="1">0.0324 (15)</td>
<td rowspan="1" colspan="1">0.0019 (13)</td>
<td rowspan="1" colspan="1">0.0130 (12)</td>
<td rowspan="1" colspan="1">0.0025 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">C34</td>
<td rowspan="1" colspan="1">0.0338 (17)</td>
<td rowspan="1" colspan="1">0.0471 (19)</td>
<td rowspan="1" colspan="1">0.0416 (17)</td>
<td rowspan="1" colspan="1">0.0067 (14)</td>
<td rowspan="1" colspan="1">0.0182 (13)</td>
<td rowspan="1" colspan="1">0.0070 (14)</td>
</tr>
<tr><td rowspan="1" colspan="1">C35</td>
<td rowspan="1" colspan="1">0.0268 (15)</td>
<td rowspan="1" colspan="1">0.0380 (16)</td>
<td rowspan="1" colspan="1">0.0433 (17)</td>
<td rowspan="1" colspan="1">0.0059 (13)</td>
<td rowspan="1" colspan="1">0.0123 (12)</td>
<td rowspan="1" colspan="1">0.0051 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C36</td>
<td rowspan="1" colspan="1">0.0289 (17)</td>
<td rowspan="1" colspan="1">0.074 (3)</td>
<td rowspan="1" colspan="1">0.056 (2)</td>
<td rowspan="1" colspan="1">0.0133 (17)</td>
<td rowspan="1" colspan="1">0.0111 (15)</td>
<td rowspan="1" colspan="1">0.0164 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C37</td>
<td rowspan="1" colspan="1">0.0399 (18)</td>
<td rowspan="1" colspan="1">0.0473 (19)</td>
<td rowspan="1" colspan="1">0.0309 (15)</td>
<td rowspan="1" colspan="1">0.0016 (15)</td>
<td rowspan="1" colspan="1">0.0126 (13)</td>
<td rowspan="1" colspan="1">0.0071 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C38</td>
<td rowspan="1" colspan="1">0.0418 (19)</td>
<td rowspan="1" colspan="1">0.0481 (19)</td>
<td rowspan="1" colspan="1">0.0341 (16)</td>
<td rowspan="1" colspan="1">−0.0036 (15)</td>
<td rowspan="1" colspan="1">0.0053 (13)</td>
<td rowspan="1" colspan="1">0.0051 (14)</td>
</tr>
<tr><td rowspan="1" colspan="1">C39</td>
<td rowspan="1" colspan="1">0.056 (2)</td>
<td rowspan="1" colspan="1">0.056 (2)</td>
<td rowspan="1" colspan="1">0.055 (2)</td>
<td rowspan="1" colspan="1">−0.0096 (19)</td>
<td rowspan="1" colspan="1">0.0012 (18)</td>
<td rowspan="1" colspan="1">0.0247 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C40</td>
<td rowspan="1" colspan="1">0.068 (3)</td>
<td rowspan="1" colspan="1">0.102 (4)</td>
<td rowspan="1" colspan="1">0.0349 (19)</td>
<td rowspan="1" colspan="1">0.015 (3)</td>
<td rowspan="1" colspan="1">0.0226 (19)</td>
<td rowspan="1" colspan="1">0.003 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C43</td>
<td rowspan="1" colspan="1">0.0302 (15)</td>
<td rowspan="1" colspan="1">0.0312 (15)</td>
<td rowspan="1" colspan="1">0.0342 (15)</td>
<td rowspan="1" colspan="1">0.0013 (12)</td>
<td rowspan="1" colspan="1">0.0105 (12)</td>
<td rowspan="1" colspan="1">−0.0025 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">C44</td>
<td rowspan="1" colspan="1">0.0397 (18)</td>
<td rowspan="1" colspan="1">0.0398 (17)</td>
<td rowspan="1" colspan="1">0.0275 (14)</td>
<td rowspan="1" colspan="1">0.0008 (14)</td>
<td rowspan="1" colspan="1">0.0129 (12)</td>
<td rowspan="1" colspan="1">−0.0020 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">C45</td>
<td rowspan="1" colspan="1">0.0352 (16)</td>
<td rowspan="1" colspan="1">0.0345 (15)</td>
<td rowspan="1" colspan="1">0.0263 (14)</td>
<td rowspan="1" colspan="1">−0.0024 (13)</td>
<td rowspan="1" colspan="1">0.0061 (11)</td>
<td rowspan="1" colspan="1">0.0003 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">C46</td>
<td rowspan="1" colspan="1">0.0418 (19)</td>
<td rowspan="1" colspan="1">0.058 (2)</td>
<td rowspan="1" colspan="1">0.0295 (15)</td>
<td rowspan="1" colspan="1">0.0031 (16)</td>
<td rowspan="1" colspan="1">0.0039 (13)</td>
<td rowspan="1" colspan="1">0.0105 (14)</td>
</tr>
<tr><td rowspan="1" colspan="1">C47</td>
<td rowspan="1" colspan="1">0.0334 (16)</td>
<td rowspan="1" colspan="1">0.0365 (16)</td>
<td rowspan="1" colspan="1">0.0417 (17)</td>
<td rowspan="1" colspan="1">0.0095 (13)</td>
<td rowspan="1" colspan="1">0.0125 (13)</td>
<td rowspan="1" colspan="1">−0.0011 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C48</td>
<td rowspan="1" colspan="1">0.053 (2)</td>
<td rowspan="1" colspan="1">0.044 (2)</td>
<td rowspan="1" colspan="1">0.065 (2)</td>
<td rowspan="1" colspan="1">0.0124 (18)</td>
<td rowspan="1" colspan="1">0.0056 (19)</td>
<td rowspan="1" colspan="1">0.0027 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C49</td>
<td rowspan="1" colspan="1">0.052 (2)</td>
<td rowspan="1" colspan="1">0.077 (3)</td>
<td rowspan="1" colspan="1">0.066 (3)</td>
<td rowspan="1" colspan="1">0.028 (2)</td>
<td rowspan="1" colspan="1">0.031 (2)</td>
<td rowspan="1" colspan="1">0.018 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C50</td>
<td rowspan="1" colspan="1">0.039 (2)</td>
<td rowspan="1" colspan="1">0.057 (2)</td>
<td rowspan="1" colspan="1">0.062 (2)</td>
<td rowspan="1" colspan="1">0.0197 (17)</td>
<td rowspan="1" colspan="1">−0.0040 (17)</td>
<td rowspan="1" colspan="1">−0.0149 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C53</td>
<td rowspan="1" colspan="1">0.0311 (15)</td>
<td rowspan="1" colspan="1">0.0350 (15)</td>
<td rowspan="1" colspan="1">0.0299 (14)</td>
<td rowspan="1" colspan="1">0.0064 (12)</td>
<td rowspan="1" colspan="1">0.0079 (11)</td>
<td rowspan="1" colspan="1">0.0033 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">C54</td>
<td rowspan="1" colspan="1">0.0319 (16)</td>
<td rowspan="1" colspan="1">0.0436 (17)</td>
<td rowspan="1" colspan="1">0.0360 (16)</td>
<td rowspan="1" colspan="1">0.0089 (14)</td>
<td rowspan="1" colspan="1">0.0037 (12)</td>
<td rowspan="1" colspan="1">0.0079 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C55</td>
<td rowspan="1" colspan="1">0.0281 (15)</td>
<td rowspan="1" colspan="1">0.0418 (17)</td>
<td rowspan="1" colspan="1">0.0318 (14)</td>
<td rowspan="1" colspan="1">0.0040 (13)</td>
<td rowspan="1" colspan="1">0.0030 (11)</td>
<td rowspan="1" colspan="1">0.0043 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">C56</td>
<td rowspan="1" colspan="1">0.0313 (18)</td>
<td rowspan="1" colspan="1">0.052 (2)</td>
<td rowspan="1" colspan="1">0.059 (2)</td>
<td rowspan="1" colspan="1">0.0008 (15)</td>
<td rowspan="1" colspan="1">−0.0073 (15)</td>
<td rowspan="1" colspan="1">0.0017 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">C57</td>
<td rowspan="1" colspan="1">0.0404 (18)</td>
<td rowspan="1" colspan="1">0.0342 (16)</td>
<td rowspan="1" colspan="1">0.0398 (17)</td>
<td rowspan="1" colspan="1">0.0049 (14)</td>
<td rowspan="1" colspan="1">0.0038 (13)</td>
<td rowspan="1" colspan="1">0.0025 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C58</td>
<td rowspan="1" colspan="1">0.043 (2)</td>
<td rowspan="1" colspan="1">0.0371 (17)</td>
<td rowspan="1" colspan="1">0.050 (2)</td>
<td rowspan="1" colspan="1">−0.0020 (15)</td>
<td rowspan="1" colspan="1">0.0014 (15)</td>
<td rowspan="1" colspan="1">0.0002 (15)</td>
</tr>
<tr><td rowspan="1" colspan="1">C59</td>
<td rowspan="1" colspan="1">0.056 (2)</td>
<td rowspan="1" colspan="1">0.045 (2)</td>
<td rowspan="1" colspan="1">0.057 (2)</td>
<td rowspan="1" colspan="1">−0.0010 (18)</td>
<td rowspan="1" colspan="1">0.0055 (18)</td>
<td rowspan="1" colspan="1">0.0184 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">C60</td>
<td rowspan="1" colspan="1">0.060 (3)</td>
<td rowspan="1" colspan="1">0.045 (2)</td>
<td rowspan="1" colspan="1">0.062 (2)</td>
<td rowspan="1" colspan="1">0.0214 (19)</td>
<td rowspan="1" colspan="1">0.0019 (19)</td>
<td rowspan="1" colspan="1">−0.0054 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C63</td>
<td rowspan="1" colspan="1">0.0286 (15)</td>
<td rowspan="1" colspan="1">0.0330 (15)</td>
<td rowspan="1" colspan="1">0.0343 (15)</td>
<td rowspan="1" colspan="1">0.0008 (12)</td>
<td rowspan="1" colspan="1">0.0048 (11)</td>
<td rowspan="1" colspan="1">0.0017 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">C64</td>
<td rowspan="1" colspan="1">0.0319 (16)</td>
<td rowspan="1" colspan="1">0.0410 (17)</td>
<td rowspan="1" colspan="1">0.0400 (17)</td>
<td rowspan="1" colspan="1">−0.0028 (13)</td>
<td rowspan="1" colspan="1">0.0120 (13)</td>
<td rowspan="1" colspan="1">0.0015 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C65</td>
<td rowspan="1" colspan="1">0.0297 (15)</td>
<td rowspan="1" colspan="1">0.0424 (17)</td>
<td rowspan="1" colspan="1">0.0350 (15)</td>
<td rowspan="1" colspan="1">0.0005 (13)</td>
<td rowspan="1" colspan="1">0.0107 (12)</td>
<td rowspan="1" colspan="1">0.0009 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C66</td>
<td rowspan="1" colspan="1">0.046 (2)</td>
<td rowspan="1" colspan="1">0.055 (2)</td>
<td rowspan="1" colspan="1">0.047 (2)</td>
<td rowspan="1" colspan="1">−0.0077 (17)</td>
<td rowspan="1" colspan="1">0.0220 (16)</td>
<td rowspan="1" colspan="1">−0.0111 (16)</td>
</tr>
<tr><td rowspan="1" colspan="1">C67</td>
<td rowspan="1" colspan="1">0.0352 (17)</td>
<td rowspan="1" colspan="1">0.0351 (16)</td>
<td rowspan="1" colspan="1">0.0370 (16)</td>
<td rowspan="1" colspan="1">0.0002 (13)</td>
<td rowspan="1" colspan="1">0.0022 (13)</td>
<td rowspan="1" colspan="1">−0.0022 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C68</td>
<td rowspan="1" colspan="1">0.102 (4)</td>
<td rowspan="1" colspan="1">0.042 (2)</td>
<td rowspan="1" colspan="1">0.068 (3)</td>
<td rowspan="1" colspan="1">0.007 (2)</td>
<td rowspan="1" colspan="1">0.004 (3)</td>
<td rowspan="1" colspan="1">0.001 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C69</td>
<td rowspan="1" colspan="1">0.073 (3)</td>
<td rowspan="1" colspan="1">0.072 (3)</td>
<td rowspan="1" colspan="1">0.085 (4)</td>
<td rowspan="1" colspan="1">0.023 (3)</td>
<td rowspan="1" colspan="1">−0.037 (3)</td>
<td rowspan="1" colspan="1">−0.028 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C70</td>
<td rowspan="1" colspan="1">0.097 (4)</td>
<td rowspan="1" colspan="1">0.087 (4)</td>
<td rowspan="1" colspan="1">0.079 (3)</td>
<td rowspan="1" colspan="1">−0.042 (3)</td>
<td rowspan="1" colspan="1">0.050 (3)</td>
<td rowspan="1" colspan="1">−0.043 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">B1</td>
<td rowspan="1" colspan="1">0.0228 (15)</td>
<td rowspan="1" colspan="1">0.0347 (17)</td>
<td rowspan="1" colspan="1">0.0286 (15)</td>
<td rowspan="1" colspan="1">0.0042 (13)</td>
<td rowspan="1" colspan="1">0.0009 (12)</td>
<td rowspan="1" colspan="1">−0.0007 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">B2</td>
<td rowspan="1" colspan="1">0.0230 (15)</td>
<td rowspan="1" colspan="1">0.0314 (16)</td>
<td rowspan="1" colspan="1">0.0275 (15)</td>
<td rowspan="1" colspan="1">−0.0013 (12)</td>
<td rowspan="1" colspan="1">0.0051 (12)</td>
<td rowspan="1" colspan="1">0.0018 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">C1S</td>
<td rowspan="1" colspan="1">0.065 (3)</td>
<td rowspan="1" colspan="1">0.060 (3)</td>
<td rowspan="1" colspan="1">0.061 (3)</td>
<td rowspan="1" colspan="1">−0.002 (2)</td>
<td rowspan="1" colspan="1">0.021 (2)</td>
<td rowspan="1" colspan="1">0.002 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C2S</td>
<td rowspan="1" colspan="1">0.078 (3)</td>
<td rowspan="1" colspan="1">0.052 (2)</td>
<td rowspan="1" colspan="1">0.056 (2)</td>
<td rowspan="1" colspan="1">0.007 (2)</td>
<td rowspan="1" colspan="1">0.023 (2)</td>
<td rowspan="1" colspan="1">0.0016 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C3S</td>
<td rowspan="1" colspan="1">0.093 (4)</td>
<td rowspan="1" colspan="1">0.062 (3)</td>
<td rowspan="1" colspan="1">0.053 (3)</td>
<td rowspan="1" colspan="1">0.006 (3)</td>
<td rowspan="1" colspan="1">0.004 (2)</td>
<td rowspan="1" colspan="1">0.003 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4S</td>
<td rowspan="1" colspan="1">0.082 (4)</td>
<td rowspan="1" colspan="1">0.079 (4)</td>
<td rowspan="1" colspan="1">0.073 (3)</td>
<td rowspan="1" colspan="1">0.015 (3)</td>
<td rowspan="1" colspan="1">−0.006 (3)</td>
<td rowspan="1" colspan="1">0.018 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C5S</td>
<td rowspan="1" colspan="1">0.096 (4)</td>
<td rowspan="1" colspan="1">0.062 (3)</td>
<td rowspan="1" colspan="1">0.085 (4)</td>
<td rowspan="1" colspan="1">0.024 (3)</td>
<td rowspan="1" colspan="1">0.030 (3)</td>
<td rowspan="1" colspan="1">0.016 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C6S</td>
<td rowspan="1" colspan="1">0.083 (3)</td>
<td rowspan="1" colspan="1">0.052 (2)</td>
<td rowspan="1" colspan="1">0.054 (2)</td>
<td rowspan="1" colspan="1">−0.008 (2)</td>
<td rowspan="1" colspan="1">0.023 (2)</td>
<td rowspan="1" colspan="1">−0.0041 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C7S</td>
<td rowspan="1" colspan="1">0.070 (4)</td>
<td rowspan="1" colspan="1">0.127 (6)</td>
<td rowspan="1" colspan="1">0.163 (8)</td>
<td rowspan="1" colspan="1">−0.017 (4)</td>
<td rowspan="1" colspan="1">0.024 (4)</td>
<td rowspan="1" colspan="1">−0.034 (5)</td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewrapgeomlong"><title>Geometric parameters (Å, °)</title>
<table-wrap position="anchor" id="d1e4126"><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">Yb—N32</td>
<td rowspan="1" colspan="1">2.477 (3)</td>
<td rowspan="1" colspan="1">C36—H36C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb—N12</td>
<td rowspan="1" colspan="1">2.524 (3)</td>
<td rowspan="1" colspan="1">C37—C38</td>
<td rowspan="1" colspan="1">1.519 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb—N22</td>
<td rowspan="1" colspan="1">2.547 (2)</td>
<td rowspan="1" colspan="1">C37—C39</td>
<td rowspan="1" colspan="1">1.537 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb—N42</td>
<td rowspan="1" colspan="1">2.555 (2)</td>
<td rowspan="1" colspan="1">C37—C40</td>
<td rowspan="1" colspan="1">1.544 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb—N52</td>
<td rowspan="1" colspan="1">2.632 (3)</td>
<td rowspan="1" colspan="1">C38—H38A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb—N41</td>
<td rowspan="1" colspan="1">2.990 (2)</td>
<td rowspan="1" colspan="1">C38—H38B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb—H2B</td>
<td rowspan="1" colspan="1">2.29 (4)</td>
<td rowspan="1" colspan="1">C38—H38C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N11—C15</td>
<td rowspan="1" colspan="1">1.362 (4)</td>
<td rowspan="1" colspan="1">C39—H39A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N11—N12</td>
<td rowspan="1" colspan="1">1.380 (4)</td>
<td rowspan="1" colspan="1">C39—H39B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N11—B1</td>
<td rowspan="1" colspan="1">1.554 (4)</td>
<td rowspan="1" colspan="1">C39—H39C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—C13</td>
<td rowspan="1" colspan="1">1.332 (4)</td>
<td rowspan="1" colspan="1">C40—H40A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N21—C25</td>
<td rowspan="1" colspan="1">1.354 (4)</td>
<td rowspan="1" colspan="1">C40—H40B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N21—N22</td>
<td rowspan="1" colspan="1">1.387 (3)</td>
<td rowspan="1" colspan="1">C40—H40C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N21—B1</td>
<td rowspan="1" colspan="1">1.558 (4)</td>
<td rowspan="1" colspan="1">C43—C44</td>
<td rowspan="1" colspan="1">1.408 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—C23</td>
<td rowspan="1" colspan="1">1.341 (4)</td>
<td rowspan="1" colspan="1">C43—C47</td>
<td rowspan="1" colspan="1">1.520 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N31—C35</td>
<td rowspan="1" colspan="1">1.361 (4)</td>
<td rowspan="1" colspan="1">C44—C45</td>
<td rowspan="1" colspan="1">1.372 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N31—N32</td>
<td rowspan="1" colspan="1">1.382 (4)</td>
<td rowspan="1" colspan="1">C44—H44</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">N31—B1</td>
<td rowspan="1" colspan="1">1.560 (4)</td>
<td rowspan="1" colspan="1">C45—C46</td>
<td rowspan="1" colspan="1">1.500 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—C33</td>
<td rowspan="1" colspan="1">1.356 (4)</td>
<td rowspan="1" colspan="1">C46—H46A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—C45</td>
<td rowspan="1" colspan="1">1.363 (4)</td>
<td rowspan="1" colspan="1">C46—H46B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—N42</td>
<td rowspan="1" colspan="1">1.390 (3)</td>
<td rowspan="1" colspan="1">C46—H46C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—B2</td>
<td rowspan="1" colspan="1">1.546 (4)</td>
<td rowspan="1" colspan="1">C47—C50</td>
<td rowspan="1" colspan="1">1.518 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—C43</td>
<td rowspan="1" colspan="1">1.342 (4)</td>
<td rowspan="1" colspan="1">C47—C49</td>
<td rowspan="1" colspan="1">1.526 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N51—C55</td>
<td rowspan="1" colspan="1">1.355 (4)</td>
<td rowspan="1" colspan="1">C47—C48</td>
<td rowspan="1" colspan="1">1.540 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N51—N52</td>
<td rowspan="1" colspan="1">1.385 (3)</td>
<td rowspan="1" colspan="1">C48—H48A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N51—B2</td>
<td rowspan="1" colspan="1">1.553 (4)</td>
<td rowspan="1" colspan="1">C48—H48B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—C53</td>
<td rowspan="1" colspan="1">1.338 (4)</td>
<td rowspan="1" colspan="1">C48—H48C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N61—C65</td>
<td rowspan="1" colspan="1">1.368 (4)</td>
<td rowspan="1" colspan="1">C49—H49A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N61—N62</td>
<td rowspan="1" colspan="1">1.369 (3)</td>
<td rowspan="1" colspan="1">C49—H49B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N61—B2</td>
<td rowspan="1" colspan="1">1.527 (4)</td>
<td rowspan="1" colspan="1">C49—H49C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">N62—C63</td>
<td rowspan="1" colspan="1">1.321 (4)</td>
<td rowspan="1" colspan="1">C50—H50A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C14</td>
<td rowspan="1" colspan="1">1.396 (5)</td>
<td rowspan="1" colspan="1">C50—H50B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C17</td>
<td rowspan="1" colspan="1">1.519 (5)</td>
<td rowspan="1" colspan="1">C50—H50C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C15</td>
<td rowspan="1" colspan="1">1.377 (5)</td>
<td rowspan="1" colspan="1">C53—C54</td>
<td rowspan="1" colspan="1">1.401 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—H14</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C53—C57</td>
<td rowspan="1" colspan="1">1.523 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—C16</td>
<td rowspan="1" colspan="1">1.490 (5)</td>
<td rowspan="1" colspan="1">C54—C55</td>
<td rowspan="1" colspan="1">1.378 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C16—H16A</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C54—H54</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C16—H16B</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C55—C56</td>
<td rowspan="1" colspan="1">1.498 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C16—H16C</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C56—H56A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C19</td>
<td rowspan="1" colspan="1">1.527 (5)</td>
<td rowspan="1" colspan="1">C56—H56B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C18</td>
<td rowspan="1" colspan="1">1.528 (6)</td>
<td rowspan="1" colspan="1">C56—H56C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C20</td>
<td rowspan="1" colspan="1">1.538 (5)</td>
<td rowspan="1" colspan="1">C57—C58</td>
<td rowspan="1" colspan="1">1.522 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C18—H18A</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C57—C59</td>
<td rowspan="1" colspan="1">1.537 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C18—H18B</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C57—C60</td>
<td rowspan="1" colspan="1">1.548 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C18—H18C</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C58—H58A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—H19A</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C58—H58B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—H19B</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C58—H58C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—H19C</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C59—H59A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C20—H20A</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C59—H59B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C20—H20B</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C59—H59C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C20—H20C</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C60—H60A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C24</td>
<td rowspan="1" colspan="1">1.397 (5)</td>
<td rowspan="1" colspan="1">C60—H60B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C27</td>
<td rowspan="1" colspan="1">1.516 (5)</td>
<td rowspan="1" colspan="1">C60—H60C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—C25</td>
<td rowspan="1" colspan="1">1.377 (5)</td>
<td rowspan="1" colspan="1">C63—C64</td>
<td rowspan="1" colspan="1">1.415 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—H24</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C63—C67</td>
<td rowspan="1" colspan="1">1.519 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—C26</td>
<td rowspan="1" colspan="1">1.501 (5)</td>
<td rowspan="1" colspan="1">C64—C65</td>
<td rowspan="1" colspan="1">1.374 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C26—H26A</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C64—H64</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C26—H26B</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C65—C66</td>
<td rowspan="1" colspan="1">1.497 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C26—H26C</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C66—H66A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C28A</td>
<td rowspan="1" colspan="1">1.444 (7)</td>
<td rowspan="1" colspan="1">C66—H66B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C29B</td>
<td rowspan="1" colspan="1">1.454 (11)</td>
<td rowspan="1" colspan="1">C66—H66C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C30A</td>
<td rowspan="1" colspan="1">1.536 (7)</td>
<td rowspan="1" colspan="1">C67—C70</td>
<td rowspan="1" colspan="1">1.508 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C28B</td>
<td rowspan="1" colspan="1">1.554 (12)</td>
<td rowspan="1" colspan="1">C67—C69</td>
<td rowspan="1" colspan="1">1.512 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C29A</td>
<td rowspan="1" colspan="1">1.588 (7)</td>
<td rowspan="1" colspan="1">C67—C68</td>
<td rowspan="1" colspan="1">1.525 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C30B</td>
<td rowspan="1" colspan="1">1.661 (13)</td>
<td rowspan="1" colspan="1">C68—H68A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C28A—H28A</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C68—H68B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C28A—H28B</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C68—H68C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C28A—H28C</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C69—H69A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C29A—H29A</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C69—H69B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C29A—H29B</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C69—H69C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C29A—H29C</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C70—H70A</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C30A—H30A</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C70—H70B</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C30A—H30B</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C70—H70C</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C30A—H30C</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">B1—H1B</td>
<td rowspan="1" colspan="1">1.0000</td>
</tr>
<tr><td rowspan="1" colspan="1">C28B—H28D</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">B2—H2B</td>
<td rowspan="1" colspan="1">1.16 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C28B—H28E</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C1S—C2S</td>
<td rowspan="1" colspan="1">1.380 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">C28B—H28F</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C1S—C6S</td>
<td rowspan="1" colspan="1">1.386 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">C29B—H29D</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C1S—C7S</td>
<td rowspan="1" colspan="1">1.476 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C29B—H29E</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C2S—C3S</td>
<td rowspan="1" colspan="1">1.356 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">C29B—H29F</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C2S—H2S</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C30B—H30D</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C3S—C4S</td>
<td rowspan="1" colspan="1">1.347 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C30B—H30E</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C3S—H3S</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C30B—H30F</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C4S—C5S</td>
<td rowspan="1" colspan="1">1.384 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C33—C34</td>
<td rowspan="1" colspan="1">1.391 (5)</td>
<td rowspan="1" colspan="1">C4S—H4S</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C33—C37</td>
<td rowspan="1" colspan="1">1.522 (5)</td>
<td rowspan="1" colspan="1">C5S—C6S</td>
<td rowspan="1" colspan="1">1.378 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C34—C35</td>
<td rowspan="1" colspan="1">1.372 (5)</td>
<td rowspan="1" colspan="1">C5S—H5S</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C34—H34</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C6S—H6S</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C35—C36</td>
<td rowspan="1" colspan="1">1.500 (5)</td>
<td rowspan="1" colspan="1">C7S—H7SA</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C36—H36A</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C7S—H7SB</td>
<td rowspan="1" colspan="1">0.9800</td>
</tr>
<tr><td rowspan="1" colspan="1">C36—H36B</td>
<td rowspan="1" colspan="1">0.9800</td>
<td rowspan="1" colspan="1">C7S—H7SC</td>
<td rowspan="1" colspan="1">0.9800</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">N32—Yb—N12</td>
<td rowspan="1" colspan="1">87.15 (8)</td>
<td rowspan="1" colspan="1">C35—C36—H36C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N22</td>
<td rowspan="1" colspan="1">93.28 (8)</td>
<td rowspan="1" colspan="1">H36A—C36—H36C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N22</td>
<td rowspan="1" colspan="1">68.27 (8)</td>
<td rowspan="1" colspan="1">H36B—C36—H36C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N42</td>
<td rowspan="1" colspan="1">97.77 (8)</td>
<td rowspan="1" colspan="1">C38—C37—C33</td>
<td rowspan="1" colspan="1">111.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N42</td>
<td rowspan="1" colspan="1">159.83 (9)</td>
<td rowspan="1" colspan="1">C38—C37—C39</td>
<td rowspan="1" colspan="1">110.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N42</td>
<td rowspan="1" colspan="1">91.85 (8)</td>
<td rowspan="1" colspan="1">C33—C37—C39</td>
<td rowspan="1" colspan="1">108.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N52</td>
<td rowspan="1" colspan="1">107.92 (8)</td>
<td rowspan="1" colspan="1">C38—C37—C40</td>
<td rowspan="1" colspan="1">108.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N52</td>
<td rowspan="1" colspan="1">103.07 (8)</td>
<td rowspan="1" colspan="1">C33—C37—C40</td>
<td rowspan="1" colspan="1">109.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N52</td>
<td rowspan="1" colspan="1">156.96 (8)</td>
<td rowspan="1" colspan="1">C39—C37—C40</td>
<td rowspan="1" colspan="1">108.8 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N52</td>
<td rowspan="1" colspan="1">94.05 (8)</td>
<td rowspan="1" colspan="1">C37—C38—H38A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N41</td>
<td rowspan="1" colspan="1">108.81 (7)</td>
<td rowspan="1" colspan="1">C37—C38—H38B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N41</td>
<td rowspan="1" colspan="1">162.84 (8)</td>
<td rowspan="1" colspan="1">H38A—C38—H38B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N41</td>
<td rowspan="1" colspan="1">115.54 (7)</td>
<td rowspan="1" colspan="1">C37—C38—H38C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N41</td>
<td rowspan="1" colspan="1">27.63 (7)</td>
<td rowspan="1" colspan="1">H38A—C38—H38C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N41</td>
<td rowspan="1" colspan="1">66.66 (7)</td>
<td rowspan="1" colspan="1">H38B—C38—H38C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—H2B</td>
<td rowspan="1" colspan="1">153.8 (9)</td>
<td rowspan="1" colspan="1">C37—C39—H39A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—H2B</td>
<td rowspan="1" colspan="1">118.2 (9)</td>
<td rowspan="1" colspan="1">C37—C39—H39B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—H2B</td>
<td rowspan="1" colspan="1">101.8 (9)</td>
<td rowspan="1" colspan="1">H39A—C39—H39B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—H2B</td>
<td rowspan="1" colspan="1">60.9 (9)</td>
<td rowspan="1" colspan="1">C37—C39—H39C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—H2B</td>
<td rowspan="1" colspan="1">62.5 (9)</td>
<td rowspan="1" colspan="1">H39A—C39—H39C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—Yb—H2B</td>
<td rowspan="1" colspan="1">45.3 (9)</td>
<td rowspan="1" colspan="1">H39B—C39—H39C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—N11—N12</td>
<td rowspan="1" colspan="1">109.6 (2)</td>
<td rowspan="1" colspan="1">C37—C40—H40A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—N11—B1</td>
<td rowspan="1" colspan="1">125.9 (3)</td>
<td rowspan="1" colspan="1">C37—C40—H40B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—N11—B1</td>
<td rowspan="1" colspan="1">122.6 (2)</td>
<td rowspan="1" colspan="1">H40A—C40—H40B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—N12—N11</td>
<td rowspan="1" colspan="1">106.7 (3)</td>
<td rowspan="1" colspan="1">C37—C40—H40C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—N12—Yb</td>
<td rowspan="1" colspan="1">141.1 (2)</td>
<td rowspan="1" colspan="1">H40A—C40—H40C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N11—N12—Yb</td>
<td rowspan="1" colspan="1">105.18 (17)</td>
<td rowspan="1" colspan="1">H40B—C40—H40C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—N21—N22</td>
<td rowspan="1" colspan="1">109.8 (3)</td>
<td rowspan="1" colspan="1">N42—C43—C44</td>
<td rowspan="1" colspan="1">109.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—N21—B1</td>
<td rowspan="1" colspan="1">126.8 (3)</td>
<td rowspan="1" colspan="1">N42—C43—C47</td>
<td rowspan="1" colspan="1">122.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—N21—B1</td>
<td rowspan="1" colspan="1">122.8 (2)</td>
<td rowspan="1" colspan="1">C44—C43—C47</td>
<td rowspan="1" colspan="1">127.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—N22—N21</td>
<td rowspan="1" colspan="1">106.0 (2)</td>
<td rowspan="1" colspan="1">C45—C44—C43</td>
<td rowspan="1" colspan="1">106.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—N22—Yb</td>
<td rowspan="1" colspan="1">143.8 (2)</td>
<td rowspan="1" colspan="1">C45—C44—H44</td>
<td rowspan="1" colspan="1">126.7</td>
</tr>
<tr><td rowspan="1" colspan="1">N21—N22—Yb</td>
<td rowspan="1" colspan="1">109.61 (17)</td>
<td rowspan="1" colspan="1">C43—C44—H44</td>
<td rowspan="1" colspan="1">126.7</td>
</tr>
<tr><td rowspan="1" colspan="1">C35—N31—N32</td>
<td rowspan="1" colspan="1">109.6 (2)</td>
<td rowspan="1" colspan="1">N41—C45—C44</td>
<td rowspan="1" colspan="1">107.8 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C35—N31—B1</td>
<td rowspan="1" colspan="1">126.1 (3)</td>
<td rowspan="1" colspan="1">N41—C45—C46</td>
<td rowspan="1" colspan="1">123.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—N31—B1</td>
<td rowspan="1" colspan="1">124.2 (2)</td>
<td rowspan="1" colspan="1">C44—C45—C46</td>
<td rowspan="1" colspan="1">129.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C33—N32—N31</td>
<td rowspan="1" colspan="1">106.1 (2)</td>
<td rowspan="1" colspan="1">C45—C46—H46A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C33—N32—Yb</td>
<td rowspan="1" colspan="1">139.4 (2)</td>
<td rowspan="1" colspan="1">C45—C46—H46B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N31—N32—Yb</td>
<td rowspan="1" colspan="1">107.80 (17)</td>
<td rowspan="1" colspan="1">H46A—C46—H46B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C45—N41—N42</td>
<td rowspan="1" colspan="1">109.6 (2)</td>
<td rowspan="1" colspan="1">C45—C46—H46C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C45—N41—B2</td>
<td rowspan="1" colspan="1">131.9 (3)</td>
<td rowspan="1" colspan="1">H46A—C46—H46C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—N41—B2</td>
<td rowspan="1" colspan="1">117.4 (2)</td>
<td rowspan="1" colspan="1">H46B—C46—H46C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C45—N41—Yb</td>
<td rowspan="1" colspan="1">143.00 (19)</td>
<td rowspan="1" colspan="1">C50—C47—C43</td>
<td rowspan="1" colspan="1">112.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—N41—Yb</td>
<td rowspan="1" colspan="1">58.48 (13)</td>
<td rowspan="1" colspan="1">C50—C47—C49</td>
<td rowspan="1" colspan="1">109.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">B2—N41—Yb</td>
<td rowspan="1" colspan="1">75.48 (15)</td>
<td rowspan="1" colspan="1">C43—C47—C49</td>
<td rowspan="1" colspan="1">110.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C43—N42—N41</td>
<td rowspan="1" colspan="1">106.5 (2)</td>
<td rowspan="1" colspan="1">C50—C47—C48</td>
<td rowspan="1" colspan="1">109.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C43—N42—Yb</td>
<td rowspan="1" colspan="1">137.2 (2)</td>
<td rowspan="1" colspan="1">C43—C47—C48</td>
<td rowspan="1" colspan="1">107.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—N42—Yb</td>
<td rowspan="1" colspan="1">93.89 (16)</td>
<td rowspan="1" colspan="1">C49—C47—C48</td>
<td rowspan="1" colspan="1">108.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C55—N51—N52</td>
<td rowspan="1" colspan="1">110.2 (3)</td>
<td rowspan="1" colspan="1">C47—C48—H48A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C55—N51—B2</td>
<td rowspan="1" colspan="1">135.6 (3)</td>
<td rowspan="1" colspan="1">C47—C48—H48B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—N51—B2</td>
<td rowspan="1" colspan="1">114.2 (2)</td>
<td rowspan="1" colspan="1">H48A—C48—H48B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C53—N52—N51</td>
<td rowspan="1" colspan="1">106.1 (2)</td>
<td rowspan="1" colspan="1">C47—C48—H48C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C53—N52—Yb</td>
<td rowspan="1" colspan="1">146.8 (2)</td>
<td rowspan="1" colspan="1">H48A—C48—H48C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N51—N52—Yb</td>
<td rowspan="1" colspan="1">107.03 (17)</td>
<td rowspan="1" colspan="1">H48B—C48—H48C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C65—N61—N62</td>
<td rowspan="1" colspan="1">110.6 (2)</td>
<td rowspan="1" colspan="1">C47—C49—H49A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C65—N61—B2</td>
<td rowspan="1" colspan="1">127.9 (3)</td>
<td rowspan="1" colspan="1">C47—C49—H49B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N62—N61—B2</td>
<td rowspan="1" colspan="1">121.5 (2)</td>
<td rowspan="1" colspan="1">H49A—C49—H49B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C63—N62—N61</td>
<td rowspan="1" colspan="1">106.1 (2)</td>
<td rowspan="1" colspan="1">C47—C49—H49C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—C13—C14</td>
<td rowspan="1" colspan="1">110.1 (3)</td>
<td rowspan="1" colspan="1">H49A—C49—H49C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—C13—C17</td>
<td rowspan="1" colspan="1">122.5 (3)</td>
<td rowspan="1" colspan="1">H49B—C49—H49C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C13—C17</td>
<td rowspan="1" colspan="1">127.0 (3)</td>
<td rowspan="1" colspan="1">C47—C50—H50A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—C14—C13</td>
<td rowspan="1" colspan="1">106.2 (3)</td>
<td rowspan="1" colspan="1">C47—C50—H50B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—C14—H14</td>
<td rowspan="1" colspan="1">126.9</td>
<td rowspan="1" colspan="1">H50A—C50—H50B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C14—H14</td>
<td rowspan="1" colspan="1">126.9</td>
<td rowspan="1" colspan="1">C47—C50—H50C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N11—C15—C14</td>
<td rowspan="1" colspan="1">107.4 (3)</td>
<td rowspan="1" colspan="1">H50A—C50—H50C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N11—C15—C16</td>
<td rowspan="1" colspan="1">124.0 (3)</td>
<td rowspan="1" colspan="1">H50B—C50—H50C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C15—C16</td>
<td rowspan="1" colspan="1">128.6 (3)</td>
<td rowspan="1" colspan="1">N52—C53—C54</td>
<td rowspan="1" colspan="1">110.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—C16—H16A</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N52—C53—C57</td>
<td rowspan="1" colspan="1">123.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—C16—H16B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C54—C53—C57</td>
<td rowspan="1" colspan="1">126.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">H16A—C16—H16B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C55—C54—C53</td>
<td rowspan="1" colspan="1">106.4 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—C16—H16C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C55—C54—H54</td>
<td rowspan="1" colspan="1">126.8</td>
</tr>
<tr><td rowspan="1" colspan="1">H16A—C16—H16C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C53—C54—H54</td>
<td rowspan="1" colspan="1">126.8</td>
</tr>
<tr><td rowspan="1" colspan="1">H16B—C16—H16C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N51—C55—C54</td>
<td rowspan="1" colspan="1">107.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C17—C19</td>
<td rowspan="1" colspan="1">111.7 (3)</td>
<td rowspan="1" colspan="1">N51—C55—C56</td>
<td rowspan="1" colspan="1">124.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C17—C18</td>
<td rowspan="1" colspan="1">109.9 (4)</td>
<td rowspan="1" colspan="1">C54—C55—C56</td>
<td rowspan="1" colspan="1">128.4 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—C17—C18</td>
<td rowspan="1" colspan="1">110.1 (4)</td>
<td rowspan="1" colspan="1">C55—C56—H56A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C17—C20</td>
<td rowspan="1" colspan="1">107.6 (3)</td>
<td rowspan="1" colspan="1">C55—C56—H56B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—C17—C20</td>
<td rowspan="1" colspan="1">108.6 (4)</td>
<td rowspan="1" colspan="1">H56A—C56—H56B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C18—C17—C20</td>
<td rowspan="1" colspan="1">108.9 (3)</td>
<td rowspan="1" colspan="1">C55—C56—H56C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C18—H18A</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H56A—C56—H56C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C18—H18B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H56B—C56—H56C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H18A—C18—H18B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C58—C57—C53</td>
<td rowspan="1" colspan="1">112.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C18—H18C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C58—C57—C59</td>
<td rowspan="1" colspan="1">110.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">H18A—C18—H18C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C53—C57—C59</td>
<td rowspan="1" colspan="1">108.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">H18B—C18—H18C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C58—C57—C60</td>
<td rowspan="1" colspan="1">109.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C19—H19A</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C53—C57—C60</td>
<td rowspan="1" colspan="1">108.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C19—H19B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C59—C57—C60</td>
<td rowspan="1" colspan="1">109.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">H19A—C19—H19B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C57—C58—H58A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C19—H19C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C57—C58—H58B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H19A—C19—H19C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H58A—C58—H58B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H19B—C19—H19C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C57—C58—H58C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C20—H20A</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H58A—C58—H58C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C20—H20B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H58B—C58—H58C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H20A—C20—H20B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C57—C59—H59A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C20—H20C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C57—C59—H59B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H20A—C20—H20C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H59A—C59—H59B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H20B—C20—H20C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C57—C59—H59C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—C23—C24</td>
<td rowspan="1" colspan="1">110.3 (3)</td>
<td rowspan="1" colspan="1">H59A—C59—H59C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—C23—C27</td>
<td rowspan="1" colspan="1">123.0 (3)</td>
<td rowspan="1" colspan="1">H59B—C59—H59C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—C23—C27</td>
<td rowspan="1" colspan="1">126.4 (3)</td>
<td rowspan="1" colspan="1">C57—C60—H60A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—C24—C23</td>
<td rowspan="1" colspan="1">106.0 (3)</td>
<td rowspan="1" colspan="1">C57—C60—H60B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—C24—H24</td>
<td rowspan="1" colspan="1">127.0</td>
<td rowspan="1" colspan="1">H60A—C60—H60B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C24—H24</td>
<td rowspan="1" colspan="1">127.0</td>
<td rowspan="1" colspan="1">C57—C60—H60C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N21—C25—C24</td>
<td rowspan="1" colspan="1">107.9 (3)</td>
<td rowspan="1" colspan="1">H60A—C60—H60C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N21—C25—C26</td>
<td rowspan="1" colspan="1">125.1 (3)</td>
<td rowspan="1" colspan="1">H60B—C60—H60C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—C25—C26</td>
<td rowspan="1" colspan="1">127.0 (3)</td>
<td rowspan="1" colspan="1">N62—C63—C64</td>
<td rowspan="1" colspan="1">111.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—C26—H26A</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N62—C63—C67</td>
<td rowspan="1" colspan="1">120.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—C26—H26B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C64—C63—C67</td>
<td rowspan="1" colspan="1">128.4 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">H26A—C26—H26B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C65—C64—C63</td>
<td rowspan="1" colspan="1">105.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—C26—H26C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C65—C64—H64</td>
<td rowspan="1" colspan="1">127.4</td>
</tr>
<tr><td rowspan="1" colspan="1">H26A—C26—H26C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C63—C64—H64</td>
<td rowspan="1" colspan="1">127.4</td>
</tr>
<tr><td rowspan="1" colspan="1">H26B—C26—H26C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N61—C65—C64</td>
<td rowspan="1" colspan="1">107.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C28A—C27—C29B</td>
<td rowspan="1" colspan="1">131.5 (7)</td>
<td rowspan="1" colspan="1">N61—C65—C66</td>
<td rowspan="1" colspan="1">122.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C28A—C27—C23</td>
<td rowspan="1" colspan="1">113.6 (4)</td>
<td rowspan="1" colspan="1">C64—C65—C66</td>
<td rowspan="1" colspan="1">130.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C29B—C27—C23</td>
<td rowspan="1" colspan="1">114.8 (6)</td>
<td rowspan="1" colspan="1">C65—C66—H66A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C28A—C27—C30A</td>
<td rowspan="1" colspan="1">112.1 (5)</td>
<td rowspan="1" colspan="1">C65—C66—H66B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C29B—C27—C30A</td>
<td rowspan="1" colspan="1">49.8 (7)</td>
<td rowspan="1" colspan="1">H66A—C66—H66B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C27—C30A</td>
<td rowspan="1" colspan="1">107.2 (4)</td>
<td rowspan="1" colspan="1">C65—C66—H66C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C28A—C27—C28B</td>
<td rowspan="1" colspan="1">48.7 (6)</td>
<td rowspan="1" colspan="1">H66A—C66—H66C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C29B—C27—C28B</td>
<td rowspan="1" colspan="1">112.3 (9)</td>
<td rowspan="1" colspan="1">H66B—C66—H66C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C27—C28B</td>
<td rowspan="1" colspan="1">111.9 (5)</td>
<td rowspan="1" colspan="1">C70—C67—C69</td>
<td rowspan="1" colspan="1">110.9 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C30A—C27—C28B</td>
<td rowspan="1" colspan="1">140.8 (6)</td>
<td rowspan="1" colspan="1">C70—C67—C63</td>
<td rowspan="1" colspan="1">111.4 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C28A—C27—C29A</td>
<td rowspan="1" colspan="1">110.0 (5)</td>
<td rowspan="1" colspan="1">C69—C67—C63</td>
<td rowspan="1" colspan="1">109.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C29B—C27—C29A</td>
<td rowspan="1" colspan="1">56.3 (7)</td>
<td rowspan="1" colspan="1">C70—C67—C68</td>
<td rowspan="1" colspan="1">108.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C27—C29A</td>
<td rowspan="1" colspan="1">107.9 (4)</td>
<td rowspan="1" colspan="1">C69—C67—C68</td>
<td rowspan="1" colspan="1">107.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C30A—C27—C29A</td>
<td rowspan="1" colspan="1">105.7 (5)</td>
<td rowspan="1" colspan="1">C63—C67—C68</td>
<td rowspan="1" colspan="1">109.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C28B—C27—C29A</td>
<td rowspan="1" colspan="1">64.5 (6)</td>
<td rowspan="1" colspan="1">C67—C68—H68A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C28A—C27—C30B</td>
<td rowspan="1" colspan="1">54.1 (6)</td>
<td rowspan="1" colspan="1">C67—C68—H68B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C29B—C27—C30B</td>
<td rowspan="1" colspan="1">108.3 (8)</td>
<td rowspan="1" colspan="1">H68A—C68—H68B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C27—C30B</td>
<td rowspan="1" colspan="1">106.7 (5)</td>
<td rowspan="1" colspan="1">C67—C68—H68C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C30A—C27—C30B</td>
<td rowspan="1" colspan="1">63.7 (6)</td>
<td rowspan="1" colspan="1">H68A—C68—H68C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C28B—C27—C30B</td>
<td rowspan="1" colspan="1">101.9 (8)</td>
<td rowspan="1" colspan="1">H68B—C68—H68C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C29A—C27—C30B</td>
<td rowspan="1" colspan="1">145.4 (6)</td>
<td rowspan="1" colspan="1">C67—C69—H69A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C28A—H28A</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C67—C69—H69B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C28A—H28B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H69A—C69—H69B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H28A—C28A—H28B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C67—C69—H69C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C28A—H28C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H69A—C69—H69C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H28A—C28A—H28C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H69B—C69—H69C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H28B—C28A—H28C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C67—C70—H70A</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C29A—H29A</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C67—C70—H70B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C29A—H29B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H70A—C70—H70B</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H29A—C29A—H29B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C67—C70—H70C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C29A—H29C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H70A—C70—H70C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H29A—C29A—H29C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H70B—C70—H70C</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H29B—C29A—H29C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N11—B1—N21</td>
<td rowspan="1" colspan="1">110.2 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C30A—H30A</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N11—B1—N31</td>
<td rowspan="1" colspan="1">111.8 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C30A—H30B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N21—B1—N31</td>
<td rowspan="1" colspan="1">113.0 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">H30A—C30A—H30B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N11—B1—H1B</td>
<td rowspan="1" colspan="1">107.2</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C30A—H30C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N21—B1—H1B</td>
<td rowspan="1" colspan="1">107.2</td>
</tr>
<tr><td rowspan="1" colspan="1">H30A—C30A—H30C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N31—B1—H1B</td>
<td rowspan="1" colspan="1">107.2</td>
</tr>
<tr><td rowspan="1" colspan="1">H30B—C30A—H30C</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N61—B2—N41</td>
<td rowspan="1" colspan="1">112.3 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C28B—H28D</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N61—B2—N51</td>
<td rowspan="1" colspan="1">113.5 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C28B—H28E</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N41—B2—N51</td>
<td rowspan="1" colspan="1">110.9 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">H28D—C28B—H28E</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N61—B2—H2B</td>
<td rowspan="1" colspan="1">110.7 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C28B—H28F</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N41—B2—H2B</td>
<td rowspan="1" colspan="1">103.3 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">H28D—C28B—H28F</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">N51—B2—H2B</td>
<td rowspan="1" colspan="1">105.5 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">H28E—C28B—H28F</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C2S—C1S—C6S</td>
<td rowspan="1" colspan="1">117.7 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C29B—H29D</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C2S—C1S—C7S</td>
<td rowspan="1" colspan="1">121.1 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C29B—H29E</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C6S—C1S—C7S</td>
<td rowspan="1" colspan="1">121.2 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">H29D—C29B—H29E</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C3S—C2S—C1S</td>
<td rowspan="1" colspan="1">121.0 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C29B—H29F</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C3S—C2S—H2S</td>
<td rowspan="1" colspan="1">119.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H29D—C29B—H29F</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C1S—C2S—H2S</td>
<td rowspan="1" colspan="1">119.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H29E—C29B—H29F</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C4S—C3S—C2S</td>
<td rowspan="1" colspan="1">121.7 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C30B—H30D</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C4S—C3S—H3S</td>
<td rowspan="1" colspan="1">119.2</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C30B—H30E</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C2S—C3S—H3S</td>
<td rowspan="1" colspan="1">119.2</td>
</tr>
<tr><td rowspan="1" colspan="1">H30D—C30B—H30E</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C3S—C4S—C5S</td>
<td rowspan="1" colspan="1">119.0 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C30B—H30F</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C3S—C4S—H4S</td>
<td rowspan="1" colspan="1">120.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H30D—C30B—H30F</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C5S—C4S—H4S</td>
<td rowspan="1" colspan="1">120.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H30E—C30B—H30F</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">C6S—C5S—C4S</td>
<td rowspan="1" colspan="1">119.8 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—C33—C34</td>
<td rowspan="1" colspan="1">109.8 (3)</td>
<td rowspan="1" colspan="1">C6S—C5S—H5S</td>
<td rowspan="1" colspan="1">120.1</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—C33—C37</td>
<td rowspan="1" colspan="1">123.3 (3)</td>
<td rowspan="1" colspan="1">C4S—C5S—H5S</td>
<td rowspan="1" colspan="1">120.1</td>
</tr>
<tr><td rowspan="1" colspan="1">C34—C33—C37</td>
<td rowspan="1" colspan="1">126.7 (3)</td>
<td rowspan="1" colspan="1">C5S—C6S—C1S</td>
<td rowspan="1" colspan="1">120.7 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C35—C34—C33</td>
<td rowspan="1" colspan="1">106.5 (3)</td>
<td rowspan="1" colspan="1">C5S—C6S—H6S</td>
<td rowspan="1" colspan="1">119.7</td>
</tr>
<tr><td rowspan="1" colspan="1">C35—C34—H34</td>
<td rowspan="1" colspan="1">126.7</td>
<td rowspan="1" colspan="1">C1S—C6S—H6S</td>
<td rowspan="1" colspan="1">119.7</td>
</tr>
<tr><td rowspan="1" colspan="1">C33—C34—H34</td>
<td rowspan="1" colspan="1">126.7</td>
<td rowspan="1" colspan="1">C1S—C7S—H7SA</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N31—C35—C34</td>
<td rowspan="1" colspan="1">108.0 (3)</td>
<td rowspan="1" colspan="1">C1S—C7S—H7SB</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N31—C35—C36</td>
<td rowspan="1" colspan="1">123.8 (3)</td>
<td rowspan="1" colspan="1">H7SA—C7S—H7SB</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C34—C35—C36</td>
<td rowspan="1" colspan="1">128.3 (3)</td>
<td rowspan="1" colspan="1">C1S—C7S—H7SC</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C35—C36—H36A</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H7SA—C7S—H7SC</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C35—C36—H36B</td>
<td rowspan="1" colspan="1">109.5</td>
<td rowspan="1" colspan="1">H7SB—C7S—H7SC</td>
<td rowspan="1" colspan="1">109.5</td>
</tr>
<tr><td rowspan="1" colspan="1">H36A—C36—H36B</td>
<td rowspan="1" colspan="1">109.5</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">C15—N11—N12—C13</td>
<td rowspan="1" colspan="1">−1.4 (3)</td>
<td rowspan="1" colspan="1">C24—C23—C27—C28A</td>
<td rowspan="1" colspan="1">−172.3 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">B1—N11—N12—C13</td>
<td rowspan="1" colspan="1">163.8 (3)</td>
<td rowspan="1" colspan="1">N22—C23—C27—C29B</td>
<td rowspan="1" colspan="1">−163.5 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—N11—N12—Yb</td>
<td rowspan="1" colspan="1">155.98 (19)</td>
<td rowspan="1" colspan="1">C24—C23—C27—C29B</td>
<td rowspan="1" colspan="1">10.3 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">B1—N11—N12—Yb</td>
<td rowspan="1" colspan="1">−38.8 (3)</td>
<td rowspan="1" colspan="1">N22—C23—C27—C30A</td>
<td rowspan="1" colspan="1">−110.5 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N12—C13</td>
<td rowspan="1" colspan="1">124.1 (4)</td>
<td rowspan="1" colspan="1">C24—C23—C27—C30A</td>
<td rowspan="1" colspan="1">63.3 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N12—C13</td>
<td rowspan="1" colspan="1">−141.2 (4)</td>
<td rowspan="1" colspan="1">N22—C23—C27—C28B</td>
<td rowspan="1" colspan="1">67.0 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N12—C13</td>
<td rowspan="1" colspan="1">−131.0 (4)</td>
<td rowspan="1" colspan="1">C24—C23—C27—C28B</td>
<td rowspan="1" colspan="1">−119.2 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N12—C13</td>
<td rowspan="1" colspan="1">16.4 (4)</td>
<td rowspan="1" colspan="1">N22—C23—C27—C29A</td>
<td rowspan="1" colspan="1">136.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—Yb—N12—C13</td>
<td rowspan="1" colspan="1">−34.8 (6)</td>
<td rowspan="1" colspan="1">C24—C23—C27—C29A</td>
<td rowspan="1" colspan="1">−50.1 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N12—N11</td>
<td rowspan="1" colspan="1">−19.97 (19)</td>
<td rowspan="1" colspan="1">N22—C23—C27—C30B</td>
<td rowspan="1" colspan="1">−43.6 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N12—N11</td>
<td rowspan="1" colspan="1">74.70 (18)</td>
<td rowspan="1" colspan="1">C24—C23—C27—C30B</td>
<td rowspan="1" colspan="1">130.2 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N12—N11</td>
<td rowspan="1" colspan="1">84.9 (3)</td>
<td rowspan="1" colspan="1">N31—N32—C33—C34</td>
<td rowspan="1" colspan="1">0.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N12—N11</td>
<td rowspan="1" colspan="1">−127.71 (18)</td>
<td rowspan="1" colspan="1">Yb—N32—C33—C34</td>
<td rowspan="1" colspan="1">−144.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—Yb—N12—N11</td>
<td rowspan="1" colspan="1">−178.9 (2)</td>
<td rowspan="1" colspan="1">N31—N32—C33—C37</td>
<td rowspan="1" colspan="1">−174.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—N21—N22—C23</td>
<td rowspan="1" colspan="1">0.7 (3)</td>
<td rowspan="1" colspan="1">Yb—N32—C33—C37</td>
<td rowspan="1" colspan="1">40.2 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">B1—N21—N22—C23</td>
<td rowspan="1" colspan="1">−171.0 (3)</td>
<td rowspan="1" colspan="1">N32—C33—C34—C35</td>
<td rowspan="1" colspan="1">−0.7 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—N21—N22—Yb</td>
<td rowspan="1" colspan="1">−172.4 (2)</td>
<td rowspan="1" colspan="1">C37—C33—C34—C35</td>
<td rowspan="1" colspan="1">174.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">B1—N21—N22—Yb</td>
<td rowspan="1" colspan="1">15.9 (3)</td>
<td rowspan="1" colspan="1">N32—N31—C35—C34</td>
<td rowspan="1" colspan="1">0.5 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N22—C23</td>
<td rowspan="1" colspan="1">−146.8 (3)</td>
<td rowspan="1" colspan="1">B1—N31—C35—C34</td>
<td rowspan="1" colspan="1">−174.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N22—C23</td>
<td rowspan="1" colspan="1">127.6 (4)</td>
<td rowspan="1" colspan="1">N32—N31—C35—C36</td>
<td rowspan="1" colspan="1">−179.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N22—C23</td>
<td rowspan="1" colspan="1">−48.9 (3)</td>
<td rowspan="1" colspan="1">B1—N31—C35—C36</td>
<td rowspan="1" colspan="1">5.5 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N22—C23</td>
<td rowspan="1" colspan="1">55.9 (4)</td>
<td rowspan="1" colspan="1">C33—C34—C35—N31</td>
<td rowspan="1" colspan="1">0.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—Yb—N22—C23</td>
<td rowspan="1" colspan="1">−34.2 (4)</td>
<td rowspan="1" colspan="1">C33—C34—C35—C36</td>
<td rowspan="1" colspan="1">179.8 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N22—N21</td>
<td rowspan="1" colspan="1">21.95 (18)</td>
<td rowspan="1" colspan="1">N32—C33—C37—C38</td>
<td rowspan="1" colspan="1">−25.9 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N22—N21</td>
<td rowspan="1" colspan="1">−63.67 (17)</td>
<td rowspan="1" colspan="1">C34—C33—C37—C38</td>
<td rowspan="1" colspan="1">159.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N22—N21</td>
<td rowspan="1" colspan="1">119.84 (17)</td>
<td rowspan="1" colspan="1">N32—C33—C37—C39</td>
<td rowspan="1" colspan="1">95.5 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N22—N21</td>
<td rowspan="1" colspan="1">−135.3 (2)</td>
<td rowspan="1" colspan="1">C34—C33—C37—C39</td>
<td rowspan="1" colspan="1">−78.7 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—Yb—N22—N21</td>
<td rowspan="1" colspan="1">134.62 (16)</td>
<td rowspan="1" colspan="1">N32—C33—C37—C40</td>
<td rowspan="1" colspan="1">−146.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C35—N31—N32—C33</td>
<td rowspan="1" colspan="1">−0.9 (3)</td>
<td rowspan="1" colspan="1">C34—C33—C37—C40</td>
<td rowspan="1" colspan="1">39.7 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">B1—N31—N32—C33</td>
<td rowspan="1" colspan="1">174.5 (3)</td>
<td rowspan="1" colspan="1">N41—N42—C43—C44</td>
<td rowspan="1" colspan="1">0.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C35—N31—N32—Yb</td>
<td rowspan="1" colspan="1">156.5 (2)</td>
<td rowspan="1" colspan="1">Yb—N42—C43—C44</td>
<td rowspan="1" colspan="1">−114.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">B1—N31—N32—Yb</td>
<td rowspan="1" colspan="1">−28.2 (3)</td>
<td rowspan="1" colspan="1">N41—N42—C43—C47</td>
<td rowspan="1" colspan="1">−174.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N32—C33</td>
<td rowspan="1" colspan="1">−162.7 (3)</td>
<td rowspan="1" colspan="1">Yb—N42—C43—C47</td>
<td rowspan="1" colspan="1">70.4 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N32—C33</td>
<td rowspan="1" colspan="1">129.3 (3)</td>
<td rowspan="1" colspan="1">N42—C43—C44—C45</td>
<td rowspan="1" colspan="1">0.2 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N32—C33</td>
<td rowspan="1" colspan="1">36.9 (3)</td>
<td rowspan="1" colspan="1">C47—C43—C44—C45</td>
<td rowspan="1" colspan="1">174.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N32—C33</td>
<td rowspan="1" colspan="1">−59.9 (3)</td>
<td rowspan="1" colspan="1">N42—N41—C45—C44</td>
<td rowspan="1" colspan="1">1.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—Yb—N32—C33</td>
<td rowspan="1" colspan="1">10.9 (3)</td>
<td rowspan="1" colspan="1">B2—N41—C45—C44</td>
<td rowspan="1" colspan="1">−166.4 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N32—N31</td>
<td rowspan="1" colspan="1">52.01 (18)</td>
<td rowspan="1" colspan="1">Yb—N41—C45—C44</td>
<td rowspan="1" colspan="1">64.5 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N32—N31</td>
<td rowspan="1" colspan="1">−16.02 (18)</td>
<td rowspan="1" colspan="1">N42—N41—C45—C46</td>
<td rowspan="1" colspan="1">−175.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N32—N31</td>
<td rowspan="1" colspan="1">−108.34 (17)</td>
<td rowspan="1" colspan="1">B2—N41—C45—C46</td>
<td rowspan="1" colspan="1">16.6 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N32—N31</td>
<td rowspan="1" colspan="1">154.82 (16)</td>
<td rowspan="1" colspan="1">Yb—N41—C45—C46</td>
<td rowspan="1" colspan="1">−112.5 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—Yb—N32—N31</td>
<td rowspan="1" colspan="1">−134.43 (16)</td>
<td rowspan="1" colspan="1">C43—C44—C45—N41</td>
<td rowspan="1" colspan="1">−0.8 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N41—C45</td>
<td rowspan="1" colspan="1">−10.9 (4)</td>
<td rowspan="1" colspan="1">C43—C44—C45—C46</td>
<td rowspan="1" colspan="1">176.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N41—C45</td>
<td rowspan="1" colspan="1">146.8 (3)</td>
<td rowspan="1" colspan="1">N42—C43—C47—C50</td>
<td rowspan="1" colspan="1">−30.1 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N41—C45</td>
<td rowspan="1" colspan="1">−114.2 (3)</td>
<td rowspan="1" colspan="1">C44—C43—C47—C50</td>
<td rowspan="1" colspan="1">155.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N41—C45</td>
<td rowspan="1" colspan="1">−80.8 (4)</td>
<td rowspan="1" colspan="1">N42—C43—C47—C49</td>
<td rowspan="1" colspan="1">−152.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N41—C45</td>
<td rowspan="1" colspan="1">91.1 (3)</td>
<td rowspan="1" colspan="1">C44—C43—C47—C49</td>
<td rowspan="1" colspan="1">34.0 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N41—N42</td>
<td rowspan="1" colspan="1">69.95 (17)</td>
<td rowspan="1" colspan="1">N42—C43—C47—C48</td>
<td rowspan="1" colspan="1">90.0 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N41—N42</td>
<td rowspan="1" colspan="1">−132.3 (3)</td>
<td rowspan="1" colspan="1">C44—C43—C47—C48</td>
<td rowspan="1" colspan="1">−84.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N41—N42</td>
<td rowspan="1" colspan="1">−33.33 (17)</td>
<td rowspan="1" colspan="1">N51—N52—C53—C54</td>
<td rowspan="1" colspan="1">0.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N41—N42</td>
<td rowspan="1" colspan="1">171.90 (17)</td>
<td rowspan="1" colspan="1">Yb—N52—C53—C54</td>
<td rowspan="1" colspan="1">179.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N41—B2</td>
<td rowspan="1" colspan="1">−154.31 (16)</td>
<td rowspan="1" colspan="1">N51—N52—C53—C57</td>
<td rowspan="1" colspan="1">−179.4 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N41—B2</td>
<td rowspan="1" colspan="1">3.4 (3)</td>
<td rowspan="1" colspan="1">Yb—N52—C53—C57</td>
<td rowspan="1" colspan="1">−0.7 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N41—B2</td>
<td rowspan="1" colspan="1">102.41 (17)</td>
<td rowspan="1" colspan="1">N52—C53—C54—C55</td>
<td rowspan="1" colspan="1">−0.5 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N41—B2</td>
<td rowspan="1" colspan="1">135.7 (2)</td>
<td rowspan="1" colspan="1">C57—C53—C54—C55</td>
<td rowspan="1" colspan="1">179.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N41—B2</td>
<td rowspan="1" colspan="1">−52.36 (16)</td>
<td rowspan="1" colspan="1">N52—N51—C55—C54</td>
<td rowspan="1" colspan="1">0.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C45—N41—N42—C43</td>
<td rowspan="1" colspan="1">−1.0 (3)</td>
<td rowspan="1" colspan="1">B2—N51—C55—C54</td>
<td rowspan="1" colspan="1">−177.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">B2—N41—N42—C43</td>
<td rowspan="1" colspan="1">168.5 (3)</td>
<td rowspan="1" colspan="1">N52—N51—C55—C56</td>
<td rowspan="1" colspan="1">−178.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb—N41—N42—C43</td>
<td rowspan="1" colspan="1">−141.9 (2)</td>
<td rowspan="1" colspan="1">B2—N51—C55—C56</td>
<td rowspan="1" colspan="1">3.7 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">C45—N41—N42—Yb</td>
<td rowspan="1" colspan="1">140.9 (2)</td>
<td rowspan="1" colspan="1">C53—C54—C55—N51</td>
<td rowspan="1" colspan="1">0.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">B2—N41—N42—Yb</td>
<td rowspan="1" colspan="1">−49.5 (2)</td>
<td rowspan="1" colspan="1">C53—C54—C55—C56</td>
<td rowspan="1" colspan="1">179.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N42—C43</td>
<td rowspan="1" colspan="1">3.3 (3)</td>
<td rowspan="1" colspan="1">N52—C53—C57—C58</td>
<td rowspan="1" colspan="1">−4.8 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N42—C43</td>
<td rowspan="1" colspan="1">−99.8 (4)</td>
<td rowspan="1" colspan="1">C54—C53—C57—C58</td>
<td rowspan="1" colspan="1">175.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N42—C43</td>
<td rowspan="1" colspan="1">−90.3 (3)</td>
<td rowspan="1" colspan="1">N52—C53—C57—C59</td>
<td rowspan="1" colspan="1">117.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N42—C43</td>
<td rowspan="1" colspan="1">112.0 (3)</td>
<td rowspan="1" colspan="1">C54—C53—C57—C59</td>
<td rowspan="1" colspan="1">−63.2 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—Yb—N42—C43</td>
<td rowspan="1" colspan="1">119.4 (4)</td>
<td rowspan="1" colspan="1">N52—C53—C57—C60</td>
<td rowspan="1" colspan="1">−125.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N42—N41</td>
<td rowspan="1" colspan="1">−116.17 (16)</td>
<td rowspan="1" colspan="1">C54—C53—C57—C60</td>
<td rowspan="1" colspan="1">54.6 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N42—N41</td>
<td rowspan="1" colspan="1">140.8 (2)</td>
<td rowspan="1" colspan="1">N61—N62—C63—C64</td>
<td rowspan="1" colspan="1">−0.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N42—N41</td>
<td rowspan="1" colspan="1">150.26 (16)</td>
<td rowspan="1" colspan="1">N61—N62—C63—C67</td>
<td rowspan="1" colspan="1">179.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N52—Yb—N42—N41</td>
<td rowspan="1" colspan="1">−7.45 (16)</td>
<td rowspan="1" colspan="1">N62—C63—C64—C65</td>
<td rowspan="1" colspan="1">0.3 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C55—N51—N52—C53</td>
<td rowspan="1" colspan="1">−0.6 (3)</td>
<td rowspan="1" colspan="1">C67—C63—C64—C65</td>
<td rowspan="1" colspan="1">−179.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">B2—N51—N52—C53</td>
<td rowspan="1" colspan="1">177.5 (2)</td>
<td rowspan="1" colspan="1">N62—N61—C65—C64</td>
<td rowspan="1" colspan="1">0.3 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C55—N51—N52—Yb</td>
<td rowspan="1" colspan="1">−179.92 (19)</td>
<td rowspan="1" colspan="1">B2—N61—C65—C64</td>
<td rowspan="1" colspan="1">179.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">B2—N51—N52—Yb</td>
<td rowspan="1" colspan="1">−1.8 (3)</td>
<td rowspan="1" colspan="1">N62—N61—C65—C66</td>
<td rowspan="1" colspan="1">−179.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N52—C53</td>
<td rowspan="1" colspan="1">−44.1 (4)</td>
<td rowspan="1" colspan="1">B2—N61—C65—C66</td>
<td rowspan="1" colspan="1">0.2 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N52—C53</td>
<td rowspan="1" colspan="1">47.1 (4)</td>
<td rowspan="1" colspan="1">C63—C64—C65—N61</td>
<td rowspan="1" colspan="1">−0.4 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N52—C53</td>
<td rowspan="1" colspan="1">112.0 (4)</td>
<td rowspan="1" colspan="1">C63—C64—C65—C66</td>
<td rowspan="1" colspan="1">178.9 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N52—C53</td>
<td rowspan="1" colspan="1">−143.6 (4)</td>
<td rowspan="1" colspan="1">N62—C63—C67—C70</td>
<td rowspan="1" colspan="1">0.8 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—Yb—N52—C53</td>
<td rowspan="1" colspan="1">−147.4 (4)</td>
<td rowspan="1" colspan="1">C64—C63—C67—C70</td>
<td rowspan="1" colspan="1">−179.8 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N32—Yb—N52—N51</td>
<td rowspan="1" colspan="1">134.66 (17)</td>
<td rowspan="1" colspan="1">N62—C63—C67—C69</td>
<td rowspan="1" colspan="1">−122.6 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—Yb—N52—N51</td>
<td rowspan="1" colspan="1">−134.12 (17)</td>
<td rowspan="1" colspan="1">C64—C63—C67—C69</td>
<td rowspan="1" colspan="1">56.9 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—Yb—N52—N51</td>
<td rowspan="1" colspan="1">−69.3 (3)</td>
<td rowspan="1" colspan="1">N62—C63—C67—C68</td>
<td rowspan="1" colspan="1">120.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N42—Yb—N52—N51</td>
<td rowspan="1" colspan="1">35.14 (17)</td>
<td rowspan="1" colspan="1">C64—C63—C67—C68</td>
<td rowspan="1" colspan="1">−60.4 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N41—Yb—N52—N51</td>
<td rowspan="1" colspan="1">31.38 (16)</td>
<td rowspan="1" colspan="1">C15—N11—B1—N21</td>
<td rowspan="1" colspan="1">125.8 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C65—N61—N62—C63</td>
<td rowspan="1" colspan="1">−0.1 (3)</td>
<td rowspan="1" colspan="1">N12—N11—B1—N21</td>
<td rowspan="1" colspan="1">−36.9 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">B2—N61—N62—C63</td>
<td rowspan="1" colspan="1">−179.4 (3)</td>
<td rowspan="1" colspan="1">C15—N11—B1—N31</td>
<td rowspan="1" colspan="1">−107.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N11—N12—C13—C14</td>
<td rowspan="1" colspan="1">1.2 (4)</td>
<td rowspan="1" colspan="1">N12—N11—B1—N31</td>
<td rowspan="1" colspan="1">89.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb—N12—C13—C14</td>
<td rowspan="1" colspan="1">−142.6 (3)</td>
<td rowspan="1" colspan="1">C25—N21—B1—N11</td>
<td rowspan="1" colspan="1">−118.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N11—N12—C13—C17</td>
<td rowspan="1" colspan="1">−172.2 (3)</td>
<td rowspan="1" colspan="1">N22—N21—B1—N11</td>
<td rowspan="1" colspan="1">51.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb—N12—C13—C17</td>
<td rowspan="1" colspan="1">44.0 (5)</td>
<td rowspan="1" colspan="1">C25—N21—B1—N31</td>
<td rowspan="1" colspan="1">115.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—C13—C14—C15</td>
<td rowspan="1" colspan="1">−0.6 (4)</td>
<td rowspan="1" colspan="1">N22—N21—B1—N31</td>
<td rowspan="1" colspan="1">−74.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C13—C14—C15</td>
<td rowspan="1" colspan="1">172.5 (3)</td>
<td rowspan="1" colspan="1">C35—N31—B1—N11</td>
<td rowspan="1" colspan="1">134.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—N11—C15—C14</td>
<td rowspan="1" colspan="1">1.1 (3)</td>
<td rowspan="1" colspan="1">N32—N31—B1—N11</td>
<td rowspan="1" colspan="1">−39.6 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">B1—N11—C15—C14</td>
<td rowspan="1" colspan="1">−163.5 (3)</td>
<td rowspan="1" colspan="1">C35—N31—B1—N21</td>
<td rowspan="1" colspan="1">−100.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—N11—C15—C16</td>
<td rowspan="1" colspan="1">−177.4 (3)</td>
<td rowspan="1" colspan="1">N32—N31—B1—N21</td>
<td rowspan="1" colspan="1">85.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">B1—N11—C15—C16</td>
<td rowspan="1" colspan="1">18.0 (5)</td>
<td rowspan="1" colspan="1">C65—N61—B2—N41</td>
<td rowspan="1" colspan="1">162.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C14—C15—N11</td>
<td rowspan="1" colspan="1">−0.3 (4)</td>
<td rowspan="1" colspan="1">N62—N61—B2—N41</td>
<td rowspan="1" colspan="1">−18.8 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C14—C15—C16</td>
<td rowspan="1" colspan="1">178.0 (3)</td>
<td rowspan="1" colspan="1">C65—N61—B2—N51</td>
<td rowspan="1" colspan="1">−71.2 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—C13—C17—C19</td>
<td rowspan="1" colspan="1">−20.8 (5)</td>
<td rowspan="1" colspan="1">N62—N61—B2—N51</td>
<td rowspan="1" colspan="1">108.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C13—C17—C19</td>
<td rowspan="1" colspan="1">167.0 (4)</td>
<td rowspan="1" colspan="1">C45—N41—B2—N61</td>
<td rowspan="1" colspan="1">57.9 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—C13—C17—C18</td>
<td rowspan="1" colspan="1">−143.3 (3)</td>
<td rowspan="1" colspan="1">N42—N41—B2—N61</td>
<td rowspan="1" colspan="1">−108.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C13—C17—C18</td>
<td rowspan="1" colspan="1">44.4 (5)</td>
<td rowspan="1" colspan="1">Yb—N41—B2—N61</td>
<td rowspan="1" colspan="1">−151.0 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">N12—C13—C17—C20</td>
<td rowspan="1" colspan="1">98.2 (4)</td>
<td rowspan="1" colspan="1">C45—N41—B2—N51</td>
<td rowspan="1" colspan="1">−70.3 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C13—C17—C20</td>
<td rowspan="1" colspan="1">−74.0 (5)</td>
<td rowspan="1" colspan="1">N42—N41—B2—N51</td>
<td rowspan="1" colspan="1">123.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N21—N22—C23—C24</td>
<td rowspan="1" colspan="1">−0.9 (3)</td>
<td rowspan="1" colspan="1">Yb—N41—B2—N51</td>
<td rowspan="1" colspan="1">80.9 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb—N22—C23—C24</td>
<td rowspan="1" colspan="1">168.1 (2)</td>
<td rowspan="1" colspan="1">C55—N51—B2—N61</td>
<td rowspan="1" colspan="1">−20.9 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N21—N22—C23—C27</td>
<td rowspan="1" colspan="1">173.8 (3)</td>
<td rowspan="1" colspan="1">N52—N51—B2—N61</td>
<td rowspan="1" colspan="1">161.6 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">Yb—N22—C23—C27</td>
<td rowspan="1" colspan="1">−17.2 (5)</td>
<td rowspan="1" colspan="1">C55—N51—B2—N41</td>
<td rowspan="1" colspan="1">106.6 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—C23—C24—C25</td>
<td rowspan="1" colspan="1">0.8 (4)</td>
<td rowspan="1" colspan="1">N52—N51—B2—N41</td>
<td rowspan="1" colspan="1">−70.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C23—C24—C25</td>
<td rowspan="1" colspan="1">−173.7 (3)</td>
<td rowspan="1" colspan="1">C6S—C1S—C2S—C3S</td>
<td rowspan="1" colspan="1">−1.6 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—N21—C25—C24</td>
<td rowspan="1" colspan="1">−0.2 (4)</td>
<td rowspan="1" colspan="1">C7S—C1S—C2S—C3S</td>
<td rowspan="1" colspan="1">179.3 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">B1—N21—C25—C24</td>
<td rowspan="1" colspan="1">171.1 (3)</td>
<td rowspan="1" colspan="1">C1S—C2S—C3S—C4S</td>
<td rowspan="1" colspan="1">2.1 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—N21—C25—C26</td>
<td rowspan="1" colspan="1">−179.9 (3)</td>
<td rowspan="1" colspan="1">C2S—C3S—C4S—C5S</td>
<td rowspan="1" colspan="1">−0.3 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">B1—N21—C25—C26</td>
<td rowspan="1" colspan="1">−8.5 (5)</td>
<td rowspan="1" colspan="1">C3S—C4S—C5S—C6S</td>
<td rowspan="1" colspan="1">−1.9 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C24—C25—N21</td>
<td rowspan="1" colspan="1">−0.3 (4)</td>
<td rowspan="1" colspan="1">C4S—C5S—C6S—C1S</td>
<td rowspan="1" colspan="1">2.4 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C24—C25—C26</td>
<td rowspan="1" colspan="1">179.3 (3)</td>
<td rowspan="1" colspan="1">C2S—C1S—C6S—C5S</td>
<td rowspan="1" colspan="1">−0.6 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">N22—C23—C27—C28A</td>
<td rowspan="1" colspan="1">13.9 (6)</td>
<td rowspan="1" colspan="1">C7S—C1S—C6S—C5S</td>
<td rowspan="1" colspan="1">178.5 (6)</td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, °)</title>
<table-wrap position="anchor" id="d1e7911"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="5"><col span="1"></col>
<col span="1"></col>
<col span="1"></col>
<col span="1"></col>
<col span="1"></col>
</colgroup>
<tr><td rowspan="1" colspan="1"><italic>D</italic>
—H···<italic>A</italic>
</td>
<td rowspan="1" colspan="1"><italic>D</italic>
—H</td>
<td rowspan="1" colspan="1">H···<italic>A</italic>
</td>
<td rowspan="1" colspan="1"><italic>D</italic>
···<italic>A</italic>
</td>
<td rowspan="1" colspan="1"><italic>D</italic>
—H···<italic>A</italic>
</td>
</tr>
<tr><td rowspan="1" colspan="1">B2—H2B···Yb</td>
<td rowspan="1" colspan="1">1.16 (3)</td>
<td rowspan="1" colspan="1">2.29 (4)</td>
<td rowspan="1" colspan="1">3.002 (3)</td>
<td rowspan="1" colspan="1">118 (2)</td>
</tr>
</table>
</table-wrap>
</sec>
</app>
</app-group>
<ref-list><title>References</title>
<ref id="bb1"><mixed-citation publication-type="other">Bruker (1997). <italic>SMART</italic>
 and <italic>SAINT</italic>
 Bruker AXS Inc., Madison, Wisconsin, USA.</mixed-citation>
</ref>
<ref id="bb2"><mixed-citation publication-type="other">Calabrese, J. C., Donaille, P. J., Thompson, J. S. & Trofimenko, S. (1990). <italic>Inorg. Chem.</italic>
<bold>29</bold>
, 4429–4447.</mixed-citation>
</ref>
<ref id="bb3"><mixed-citation publication-type="other">Cheng, J., Takats, J., Ferguson, M. J. & McDonald, R. (2008). <italic> J. Am. Chem. Soc.</italic>
<bold>130</bold>
, 1544–1545.</mixed-citation>
</ref>
<ref id="bb4"><mixed-citation publication-type="other">Cotton, F. A., Jeremic, M. & Shaver, A. (1972). <italic>Inorg. Chim. Acta</italic>
, <bold>6</bold>
, 543–551.</mixed-citation>
</ref>
<ref id="bb5"><mixed-citation publication-type="other">Kosky, C. A., Ganis, P. & Avitabile, G. (1971). <italic>Acta Cryst.</italic>
 B<bold>27</bold>
, 1859–1864.</mixed-citation>
</ref>
<ref id="bb6"><mixed-citation publication-type="other">Sheldrick, G. M. (2008). <italic>Acta Cryst.</italic>
 A<bold>64</bold>
, 112–122.</mixed-citation>
</ref>
<ref id="bb7"><mixed-citation publication-type="other">Zhang, X. W., McDonald, R. & Takats, J. (1995). <italic>New J. Chem.</italic>
<bold>19</bold>
, 573–585.</mixed-citation>
</ref>
</ref-list>
</back>
<floats-group><table-wrap id="table1" position="float"><label>Table 1</label>
<caption><title>Selected geometric parameters (Å, °)</title>
</caption>
<table frame="hsides" rules="groups"><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N32</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.477 (3)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N12</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.524 (3)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N22</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.547 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N42</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.555 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N52</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.632 (3)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N41</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.990 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—H2<italic>B</italic>
</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.29 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N11—B1</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.554 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N21—B1</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.558 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N31—B1</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.560 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N41—B2</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.546 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N51—B2</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.553 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N61—B2</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.527 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">B2—H2<italic>B</italic>
</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.16 (3)</td>
</tr>
</tbody>
</table>
</table-wrap>
<table-wrap id="table2" position="float"><label>Table 2</label>
<caption><title>Hydrogen-bond geometry (Å, °)</title>
</caption>
<table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
</tr>
</thead>
<tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">B2—H2<italic>B</italic>
⋯Yb</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.16 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.29 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.002 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">118 (2)</td>
</tr>
</tbody>
</table>
</table-wrap>
</floats-group>
</pmc>
</record>

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Bis[tris(3-tert-butyl-5-methyl­pyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate

Bis[tris(3-tert-butyl-5-methyl­pyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate

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Bis[tris(3-tert-butyl-5-methylpyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate

Bis[tris(3-tert-butyl-5-methylpyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate