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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">(<italic>N</italic>-Phenylthiourea-κ<italic>S</italic>)bis(triphenylphosphane-κ<italic>P</italic>)silver(I) nitrate</title><author><name sortKey="Mekarat, Sofia" sort="Mekarat, Sofia" uniqKey="Mekarat S" first="Sofia" last="Mekarat">Sofia Mekarat</name><affiliation><nlm:aff id="a">Faculty of Science and Technology, Princess of Naradhiwas University, Narathiwat, 96000,<country>Thailand</country></nlm:aff></affiliation></author><author><name sortKey="Pakawatchai, Chaveng" sort="Pakawatchai, Chaveng" uniqKey="Pakawatchai C" first="Chaveng" last="Pakawatchai">Chaveng Pakawatchai</name><affiliation><nlm:aff id="b">Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112,<country>Thailand</country></nlm:aff></affiliation></author><author><name sortKey="Saithong, Saowanit" sort="Saithong, Saowanit" uniqKey="Saithong S" first="Saowanit" last="Saithong">Saowanit Saithong</name><affiliation><nlm:aff id="b">Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112,<country>Thailand</country></nlm:aff></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">25161537</idno><idno type="pmc">4120613</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120613</idno><idno type="RBID">PMC:4120613</idno><idno type="doi">10.1107/S1600536814014147</idno><date when="2014">2014</date><idno type="wicri:Area/Pmc/Corpus">000995</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000995</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">(<italic>N</italic>-Phenylthiourea-κ<italic>S</italic>)bis(triphenylphosphane-κ<italic>P</italic>)silver(I) nitrate</title><author><name sortKey="Mekarat, Sofia" sort="Mekarat, Sofia" uniqKey="Mekarat S" first="Sofia" last="Mekarat">Sofia Mekarat</name><affiliation><nlm:aff id="a">Faculty of Science and Technology, Princess of Naradhiwas University, Narathiwat, 96000,<country>Thailand</country></nlm:aff></affiliation></author><author><name sortKey="Pakawatchai, Chaveng" sort="Pakawatchai, Chaveng" uniqKey="Pakawatchai C" first="Chaveng" last="Pakawatchai">Chaveng Pakawatchai</name><affiliation><nlm:aff id="b">Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112,<country>Thailand</country></nlm:aff></affiliation></author><author><name sortKey="Saithong, Saowanit" sort="Saithong, Saowanit" uniqKey="Saithong S" first="Saowanit" last="Saithong">Saowanit Saithong</name><affiliation><nlm:aff id="b">Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112,<country>Thailand</country></nlm:aff></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2014">2014</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>In the title salt, [Ag(C<sub>7</sub>H<sub>8</sub>N<sub>2</sub>S)(C<sub>18</sub>H<sub>15</sub>P)<sub>2</sub>]NO<sub>3</sub>, the coordination geometry about the Ag<sup>I</sup> atom is shallow trigonal pyramidal, with the metal atom displaced by 0.372 (1) Å from the plane of the P and S atoms. In the crystal, the cations are linked to the anions by N—H⋯O hydrogen bonds, generating tetramers (two cations and two anions), which feature <italic>R</italic><sub>2</sub><sup>2</sup>(8) and <italic>R</italic><sub>4</sub><sup>4</sup>(8) loops. The cations are linked by weak C—H⋯π interactions, generating a three-dimensional network.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><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="iso-abbrev">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">25161537</article-id><article-id pub-id-type="pmc">4120613</article-id><article-id pub-id-type="publisher-id">hb7242</article-id><article-id pub-id-type="doi">10.1107/S1600536814014147</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536814014147</article-id><article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject></subj-group></article-categories><title-group><article-title>(<italic>N</italic>-Phenylthiourea-κ<italic>S</italic>)bis(triphenylphosphane-κ<italic>P</italic>)silver(I) nitrate</article-title><alt-title><italic>[Ag(C<sub>7</sub>H<sub>8</sub>N<sub>2</sub>S)(C<sub>18</sub>H<sub>15</sub>P)<sub>2</sub>]NO<sub>3</sub></italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Mekarat</surname><given-names>Sofia</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Pakawatchai</surname><given-names>Chaveng</given-names></name><xref ref-type="aff" rid="b">b</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><contrib contrib-type="author"><name><surname>Saithong</surname><given-names>Saowanit</given-names></name><xref ref-type="aff" rid="b">b</xref></contrib><aff id="a"><label>a</label>Faculty of Science and Technology, Princess of Naradhiwas University, Narathiwat, 96000,<country>Thailand</country></aff><aff id="b"><label>b</label>Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112,<country>Thailand</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>chaveng.p@psu.ac.th</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>7</month><year>2014</year></pub-date><pub-date pub-type="epub"><day>25</day><month>6</month><year>2014</year></pub-date><pub-date pub-type="pmc-release"><day>25</day><month>6</month><year>2014</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>70</volume><issue>Pt 7</issue><issue-id pub-id-type="publisher-id">e140700</issue-id><fpage>m281</fpage><lpage>m282</lpage><history><date date-type="received"><day>11</day><month>6</month><year>2014</year></date><date date-type="accepted"><day>17</day><month>6</month><year>2014</year></date></history><permissions><copyright-statement>© Mekarat et al. 2014</copyright-statement><copyright-year>2014</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/S1600536814014147">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>In the title salt, [Ag(C<sub>7</sub>H<sub>8</sub>N<sub>2</sub>S)(C<sub>18</sub>H<sub>15</sub>P)<sub>2</sub>]NO<sub>3</sub>, the coordination geometry about the Ag<sup>I</sup> atom is shallow trigonal pyramidal, with the metal atom displaced by 0.372 (1) Å from the plane of the P and S atoms. In the crystal, the cations are linked to the anions by N—H⋯O hydrogen bonds, generating tetramers (two cations and two anions), which feature <italic>R</italic><sub>2</sub><sup>2</sup>(8) and <italic>R</italic><sub>4</sub><sup>4</sup>(8) loops. The cations are linked by weak C—H⋯π interactions, generating a three-dimensional network.</p></abstract><kwd-group><kwd><italic>N-</italic>phenylthiourea</kwd><kwd>triphenylphosphane</kwd><kwd>silver(I)nitrate</kwd><kwd>crystal structure</kwd></kwd-group></article-meta></front><body><sec id="sec1"><title>Related literature </title><p>For properties of mixed-ligand <italic>d</italic><sup>10</sup> metal(I) complexes, see: Oshio <italic>et al.</italic> (1996<xref ref-type="bibr" rid="bb8"> ▶</xref>); Zheng <italic>et al.</italic> (2001<xref ref-type="bibr" rid="bb12"> ▶</xref>); Sewead <italic>et al.</italic> (2003<xref ref-type="bibr" rid="bb9"> ▶</xref>); Isab <italic>et al.</italic> (2010<xref ref-type="bibr" rid="bb5"> ▶</xref>). For structural studies of mixed-ligand complexes of triphenylphosphane and thione ligands, see: Skoulika <italic>et al.</italic> (1991<xref ref-type="bibr" rid="bb11"> ▶</xref>); Aslanidis <italic>et al.</italic> (1997<xref ref-type="bibr" rid="bb1"> ▶</xref>); Ghassemzadeh <italic>et al.</italic>(2004<xref ref-type="bibr" rid="bb4"> ▶</xref>); Nimthong <italic>et al.</italic> (2008<xref ref-type="bibr" rid="bb7"> ▶</xref>); Isab <italic>et al.</italic> (2010<xref ref-type="bibr" rid="bb5"> ▶</xref>).<chem-struct id="scheme1"><graphic xlink:href="e-70-0m281-scheme1.jpg" position="float"></graphic></chem-struct></p></sec><sec 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" id="l1"><list-item><p>[Ag(C<sub>7</sub>H<sub>8</sub>N<sub>2</sub>S)(C<sub>18</sub>H<sub>15</sub>P)<sub>2</sub>]NO<sub>3</sub></p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 846.63</p></list-item><list-item><p>Monoclinic, <inline-formula><inline-graphic xlink:href="e-70-0m281-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 13.6113 (5) Å</p></list-item><list-item><p><italic>b</italic> = 10.6431 (4) Å</p></list-item><list-item><p><italic>c</italic> = 26.4365 (10) Å</p></list-item><list-item><p>β = 96.068 (1)°</p></list-item><list-item><p><italic>V</italic> = 3808.3 (2) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 4</p></list-item><list-item><p>Mo <italic>K</italic>α radiation</p></list-item><list-item><p>μ = 0.71 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 173 K</p></list-item><list-item><p>0.27 × 0.14 × 0.08 mm</p></list-item></list></p></sec><sec id="sec2.1.2"><title>Data collection </title><p><list list-type="simple" id="l2"><list-item><p>Bruker SMART CCD diffractometer</p></list-item><list-item><p>Absorption correction: multi-scan (<italic>SADABS</italic>; Bruker, 2003<xref ref-type="bibr" rid="bb2"> ▶</xref>) <italic>T</italic><sub>min</sub> = 0.863, <italic>T</italic><sub>max</sub> = 1.000</p></list-item><list-item><p>44417 measured reflections</p></list-item><list-item><p>9196 independent reflections</p></list-item><list-item><p>8261 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.033</p></list-item></list></p></sec><sec id="sec2.1.3"><title>Refinement </title><p><list list-type="simple" id="l3"><list-item><p><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.028</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.064</p></list-item><list-item><p><italic>S</italic> = 1.05</p></list-item><list-item><p>9196 reflections</p></list-item><list-item><p>478 parameters</p></list-item><list-item><p>H-atom parameters constrained</p></list-item><list-item><p>Δρ<sub>max</sub> = 0.55 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −0.26 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e653"><title></title><p>Data collection: <italic>SMART</italic> (Bruker, 2003<xref ref-type="bibr" rid="bb2"> ▶</xref>); cell refinement: <italic>SAINT</italic> (Bruker, 2003<xref ref-type="bibr" rid="bb2"> ▶</xref>); data reduction: <italic>SAINT</italic>; program(s) used to solve structure: <italic>SHELXS2013</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb10"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL2013</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb10"> ▶</xref>); molecular graphics: <italic>Mercury</italic> (Macrae <italic>et al.</italic>, 2008<xref ref-type="bibr" rid="bb6"> ▶</xref>); software used to prepare material for publication: <italic>WinGX</italic> (Farrugia, 2012<xref ref-type="bibr" rid="bb3"> ▶</xref>) and <italic>publCIF</italic> (Westrip, 2010)<xref ref-type="bibr" rid="bb13"> ▶</xref>.</p></sec></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="local-data"><p>Crystal structure: contains datablock(s) I, New_Global_Publ_Block. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536814014147/hb7242sup1.cif">10.1107/S1600536814014147/hb7242sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-70-0m281-sup1.cif" xlink:type="simple" id="d35e143" position="anchor"></media></supplementary-material><supplementary-material content-type="local-data"><p>Structure factors: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536814014147/hb7242Isup2.hkl">10.1107/S1600536814014147/hb7242Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-70-0m281-Isup2.hkl" xlink:type="simple" id="d35e150" position="anchor"></media></supplementary-material><supplementary-material content-type="local-data"><p>CCDC reference: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/cr.cgi?rm=csd&csdid=1008627">1008627</ext-link></p></supplementary-material><supplementary-material content-type="local-data"><p>Additional supporting information: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsupfiles?hb7242&file=hb7242sup0.html&mime=text/html"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?hb7242sup1&Qmime=cif">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?hb7242&checkcif=yes">checkCIF report</ext-link></p></supplementary-material></sec></body><back><fn-group><fn id="fnu1"><p>Supporting information for this paper is available from the IUCr electronic archives (Reference: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsup?hb7242">HB7242</ext-link>).</p></fn></fn-group><ack><p>Financial support from the Center of Excellent for Innovation in Chemistry (PERCH–CIC), Office of the Higher Education Commission, Ministry of Education and Graduate School, Prince of Songkla University, are gratefully acknowledged.</p></ack><app-group><app><title>supplementary crystallographic
information</title><sec id="d1e22"><title>S1. Chemical context </title><p>Mixed-ligand complexes of group 11 metals dispaly many properties such as
magnetism (Oshio <italic>et al.</italic>, 1996);
microporousity (Zheng <italic>et al.</italic>, 2001);
luminescence (Sewead <italic>et al.</italic>, 2003) and
antimicrobial activities (Isab <italic>et al.</italic>,2010).
In our earlier work, we synthesized and characterized the neutral monomeric
copper(I) complex containing mixed ligands of triphenylphosphane (PPh<sub>3</sub>:
C<sub>18</sub>H<sub>15</sub>P) and <italic>N</italic>-phynylthiourea (ptu : C<sub>7</sub>H<sub>8</sub>N<sub>2</sub>S),
[CuI(ptu)(PPh<sub>3</sub>)<sub>2</sub>] (Nimthong <italic>et al.</italic>, 2008). As part of
our continuing studies in this area, we now describe the
synthesis and structure of the title compound,
[Ag(ptu)(PPh<sub>3</sub>)<sub>2</sub>]NO<sub>3</sub> (Scheme I).</p></sec><sec id="d1e89"><title>S2. Structural commentary </title><p>Unlike the previous complex mentioned above
(Nimthong <italic>et al.</italic>, 2008),
this complex is an ionic complex and it crystallizes in
monoclinic system space group <italic>P</italic>2<sub>1</sub>/<italic>c</italic>. The structure consists of
the discrete mononuclear [Ag(ptu)(PPh<sub>3</sub>)<sub>2</sub>]<sup>+</sup>cation and the NO<sub>3</sub><sup>-</sup> anion
which is similar to those [Ag(PPh<sub>3</sub>)<sub>2</sub>(pymtH)]NO<sub>3</sub> (Aslanidis <italic>et
al.</italic>, 1997). A perspective view of the molecular structure of
[Ag(ptu)(PPh<sub>3</sub>)<sub>2</sub>]NO<sub>3</sub> with atomic labeling is given in Figure 1. The
cation part contains silver(I) atom trigonally coordinated by two phosphorus
atoms from two triphenylphosphane molecules and one sulfur atom from
<italic>N</italic>–phenylthiourea molecule similar to found in those silver oxyanion
complexes containing mixed PPh<sub>3</sub>/heterocyclic thione ligands (Aslanidis <italic>et
al.</italic>, 1997; Ghassemzadeh <italic>et al.</italic>, 2004). The Ag–P
bond lengths of
2.4645 (5) and 2.4693 (4)Å are similar to the values of 2.455 (1) and 2.447 (1) Å observed in [Ag(PPh<sub>3</sub>)<sub>2</sub>(pymtH)]NO<sub>3</sub> (Aslanidis <italic>et al.</italic>,
1997),
however, these values are slightly different from the values of 2.458 (2) and
2.507 (2) Å compared to [Ag(TAMTTO)(PPh<sub>3</sub>)<sub>2</sub>]NO<sub>3</sub>.1.5THF (Ghassemzadeh
<italic>et al.</italic>, 2004) because of the massive and steric effect of TAMTTO
heterocyclic ligand. The Ag–S bond length [2.5307 (7) Å] is shorter than
in those complexes [Ag(PPh<sub>3</sub>)<sub>2</sub>(pymtH)]NO<sub>3</sub> [2.573 (1)Å] and
[Ag(TAMTTO)(PPh<sub>3</sub>)<sub>2</sub>]NO<sub>3</sub>.1.5 THF [2.592 (2) Å] (Aslanidis <italic>et al.</italic>,
1997; Ghassemzadeh <italic>et al.</italic>, 2004 ). The P(1)–Ag–P(2),
P(1)–Ag–S(1)
and P(2)–Ag–S(1) bond angles are 127.55 (1)° ,113.02 (1)° and 112.69 (1)°,
respectively. Due to the steric crowding of six phenyl rings from two bulky
triphenyl phosphane ligands and the <italic>π</italic>(CH)···Ag interaction [3.314 Å]
between the centriod of phenyl ring (C2—C7) of the <italic>N</italic>–phenylthiourea
and metal atom, the silver centre atom deviates from idealized trigonal planar
with this atom lying <italic>ca</italic> 0.372 (1) Å out of the P<sub>2</sub>S plane. For the
anion, although the oxygen atoms of the nitrate have no influence on
coordination, they have great influence on the crystal packing of the complex.
It is nearly planar with the bond angles around the nitrogen atom ranging from
119.01 (1)-120.53 (1)° and N(3)–O bond distances are 1.231 (2) – 1.264 (2) Å.</p></sec><sec id="d1e229"><title>S3. Supramolecular features </title><p>For the crystal packing, each [Ag(ptu)(PPh<sub>3</sub>)<sub>2</sub>]<sup>+</sup> cation is
connected to another
adjacent cationic part via hydrogen bonding interactions, N–H···O, which are
observed between amino and amide groups and nitrate oxygen atoms generate a
cyclic hydrogen bond interactions, two <italic>R<sub>2</sub><sup>2</sup>(8</italic>) graph sets for
cationic-anionic interactions and one <italic>R<sub>4</sub><sup>4</sup>(8)</italic> graph set for
anionic-anionic interaction, [ N(1)–H(1A)···O(3)<sup>i</sup> : 2.877 (2)Å,
N(1)–H(1B)···O(3)<sup>ii</sup> : 2.921 (2)Å, N(2)–H(2)···O(1) : 2.823 (2) Å and
symmetry code : (i) x-1,y,z, (ii) -x+1,-y+1,-z+2] as depicted in Figure 2 and
3. In addition, the cationic parts are linked together by the CH···π
interactions between the phenyl rings with the distance of 3.746 (2) Å for
C35–H35···Cg2 and 3.531 (2) Å for C54–H54···Cg2 [Cg2 : C11–C16] generating
the three dimensional supramolecular network. All interactions are depicted in
Figure 4.</p></sec><sec id="d1e278"><title>S4. Synthesis and crystallization </title><p>The mixture silver(I) nitrate and triphenylphosphane in ethanol was refluxed at
the temperature <italic>ca</italic> 60-70 <sup>°</sup>C for 2 h. After that,
<italic>N</italic>-phenylthiourea ligand was added to the clear mixture solution and then
continued to reflux futher for 3 h. The clear filtration was kept and left to
evaporate slowly at ambient temperature. After several days, colorless
blocks were obtained. The
melting point of the complex is 192-194 <sup>°</sup>C . Elemental analysis,calculated
for [Ag(PPh<sub>3</sub>)<sub>2</sub>(ptu)]NO<sub>3</sub> : C, 60.99;H, 4.52; N, 4.96; S, 3.78%, found: C,
65.16; H, 4.96; N, 5.16; S, 4.04%.</p></sec><sec id="d1e314"><title>S5. Refinement </title><p>Crystal data, data collection and structure refinement details are summarized in
Table 1. The structures were solved by direct methods and refined by a
full-matrix least-squares procedure based on <italic>F</italic><sup>2</sup>. All hydrogen atoms
were placed in geometrically idealised positions and refined isotropically
with a riding model for both of amine N [N—H = 0.86 Å and with
<italic>U<sub>i</sub></italic><sub>so</sub>(H) =1.2<italic>U</italic><sub>eq</sub>(N)] and phenyl ring C-<italic>sp</italic><sup>2</sup>[C—H =
0.93 Å and with <italic>U<sub>i</sub></italic><sub>so</sub>(H) = 1.2<italic>U</italic><sub>eq</sub>(C)]. ;</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>The molecular structure of [Ag(ptu)(PPh3)2]NO3 complex. Displacement ellipsoids are shown at 50% probability level.</p></caption><graphic xlink:href="e-70-0m281-fig1"></graphic></fig><fig id="Fap2"><label>Fig. 2.</label><caption><p>The hydrogen bonding interactions of [Ag(ptu)(PPh3)2]NO3 complex (#i: x - 1, y, z, #ii: 1 - x, 1 - y, 2 - z, #iii: -x, 1 - y,2 - z).</p></caption><graphic xlink:href="e-70-0m281-fig2"></graphic></fig><fig id="Fap3"><label>Fig. 3.</label><caption><p>The cyclic of hydrogen bonding interactions containing two R22(8) and one R44(8).</p></caption><graphic xlink:href="e-70-0m281-fig3"></graphic></fig><fig id="Fap4"><label>Fig. 4.</label><caption><p>The three-dimensional supramolecular interactions in crystal packing.</p></caption><graphic xlink:href="e-70-0m281-fig4"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e481"><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">[Ag(C<sub>7</sub>H<sub>8</sub>N<sub>2</sub>S)(C<sub>18</sub>H<sub>15</sub>P)<sub>2</sub>]NO<sub>3</sub></td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 1736</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 846.63</td><td rowspan="1" colspan="1"><italic>D</italic><sub>x</sub> = 1.477 Mg m<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">Monoclinic, <italic>P</italic>2<sub>1</sub>/<italic>c</italic></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> = 13.6113 (5) Å</td><td rowspan="1" colspan="1">Cell parameters from 13930 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 10.6431 (4) Å</td><td rowspan="1" colspan="1">θ = 2.3–28.0°</td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 26.4365 (10) Å</td><td rowspan="1" colspan="1">µ = 0.71 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1">β = 96.068 (1)°</td><td rowspan="1" colspan="1"><italic>T</italic> = 173 K</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 3808.3 (2) Å<sup>3</sup></td><td rowspan="1" colspan="1">Block, colourless</td></tr><tr><td rowspan="1" colspan="1"><italic>Z</italic> = 4</td><td rowspan="1" colspan="1">0.27 × 0.14 × 0.08 mm</td></tr></table></table-wrap></sec><sec id="tablewrapdatacollectionlong"><title>Data collection</title><table-wrap position="anchor" id="d1e617"><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 SMART CCD diffractometer</td><td rowspan="1" colspan="1">8261 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</td></tr><tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td><td rowspan="1" colspan="1"><italic>R</italic><sub>int</sub> = 0.033</td></tr><tr><td rowspan="1" colspan="1">Frames each covering 0.3 ° in ω scans</td><td rowspan="1" colspan="1">θ<sub>max</sub> = 28.0°, θ<sub>min</sub> = 1.5°</td></tr><tr><td rowspan="1" colspan="1">Absorption correction: multi-scan (<italic>SADABS</italic>; Bruker, 2003)</td><td rowspan="1" colspan="1"><italic>h</italic> = −17→17</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic><sub>min</sub> = 0.863, <italic>T</italic><sub>max</sub> = 1.000</td><td rowspan="1" colspan="1"><italic>k</italic> = −14→14</td></tr><tr><td rowspan="1" colspan="1">44417 measured reflections</td><td rowspan="1" colspan="1"><italic>l</italic> = −34→34</td></tr><tr><td rowspan="1" colspan="1">9196 independent reflections</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e731"><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>)] = 0.028</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>) = 0.064</td><td rowspan="1" colspan="1">H-atom parameters constrained</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 1.05</td><td rowspan="1" colspan="1"><italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + (0.0264<italic>P</italic>)<sup>2</sup> + 2.6456<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">9196 reflections</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> = 0.003</td></tr><tr><td rowspan="1" colspan="1">478 parameters</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 0.55 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">0 restraints</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −0.26 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="d1e889"><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></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="d1e909"><table rules="all" frame="box" style="table-layout:fixed" summary=""><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"><italic>x</italic></td><td rowspan="1" colspan="1"><italic>y</italic></td><td rowspan="1" colspan="1"><italic>z</italic></td><td rowspan="1" colspan="1"><italic>U</italic><sub>iso</sub>*/<italic>U</italic><sub>eq</sub></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Ag1</td><td rowspan="1" colspan="1">0.30947 (2)</td><td rowspan="1" colspan="1">0.80538 (2)</td><td rowspan="1" colspan="1">0.87530 (2)</td><td rowspan="1" colspan="1">0.01346 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">S1</td><td rowspan="1" colspan="1">0.27373 (3)</td><td rowspan="1" colspan="1">0.65461 (4)</td><td rowspan="1" colspan="1">0.94508 (2)</td><td rowspan="1" colspan="1">0.01679 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">0.48557 (3)</td><td rowspan="1" colspan="1">0.81150 (4)</td><td rowspan="1" colspan="1">0.86130 (2)</td><td rowspan="1" colspan="1">0.01253 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P2</td><td rowspan="1" colspan="1">0.18820 (3)</td><td rowspan="1" colspan="1">0.97824 (4)</td><td rowspan="1" colspan="1">0.86365 (2)</td><td rowspan="1" colspan="1">0.01356 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.10876 (11)</td><td rowspan="1" colspan="1">0.54151 (15)</td><td rowspan="1" colspan="1">0.96207 (6)</td><td rowspan="1" colspan="1">0.0205 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1A</td><td rowspan="1" colspan="1">0.0553</td><td rowspan="1" colspan="1">0.5001</td><td rowspan="1" colspan="1">0.9535</td><td rowspan="1" colspan="1">0.025*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1B</td><td rowspan="1" colspan="1">0.1249</td><td rowspan="1" colspan="1">0.5609</td><td rowspan="1" colspan="1">0.9934</td><td rowspan="1" colspan="1">0.025*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.13553 (11)</td><td rowspan="1" colspan="1">0.54123 (15)</td><td rowspan="1" colspan="1">0.87904 (6)</td><td rowspan="1" colspan="1">0.0195 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2</td><td rowspan="1" colspan="1">0.0848</td><td rowspan="1" colspan="1">0.4926</td><td rowspan="1" colspan="1">0.8754</td><td rowspan="1" colspan="1">0.023*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N3</td><td rowspan="1" colspan="1">0.91546 (11)</td><td rowspan="1" colspan="1">0.35396 (14)</td><td rowspan="1" colspan="1">0.88996 (6)</td><td rowspan="1" colspan="1">0.0200 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.98030 (10)</td><td rowspan="1" colspan="1">0.36618 (14)</td><td rowspan="1" colspan="1">0.85981 (5)</td><td rowspan="1" colspan="1">0.0285 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.83834 (11)</td><td rowspan="1" colspan="1">0.29694 (14)</td><td rowspan="1" colspan="1">0.87678 (6)</td><td rowspan="1" colspan="1">0.0339 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.92984 (10)</td><td rowspan="1" colspan="1">0.40319 (15)</td><td rowspan="1" colspan="1">0.93362 (5)</td><td rowspan="1" colspan="1">0.0320 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.16649 (13)</td><td rowspan="1" colspan="1">0.57551 (16)</td><td rowspan="1" colspan="1">0.92682 (6)</td><td rowspan="1" colspan="1">0.0166 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.17639 (13)</td><td rowspan="1" colspan="1">0.57559 (16)</td><td rowspan="1" colspan="1">0.83349 (6)</td><td rowspan="1" colspan="1">0.0165 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.27222 (13)</td><td rowspan="1" colspan="1">0.54423 (18)</td><td rowspan="1" colspan="1">0.82506 (7)</td><td rowspan="1" colspan="1">0.0203 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H3</td><td rowspan="1" colspan="1">0.3129</td><td rowspan="1" colspan="1">0.5015</td><td rowspan="1" colspan="1">0.8498</td><td rowspan="1" colspan="1">0.024*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.30689 (14)</td><td rowspan="1" colspan="1">0.57740 (19)</td><td rowspan="1" colspan="1">0.77919 (7)</td><td rowspan="1" colspan="1">0.0246 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H4</td><td rowspan="1" colspan="1">0.3714</td><td rowspan="1" colspan="1">0.5580</td><td rowspan="1" colspan="1">0.7735</td><td rowspan="1" colspan="1">0.030*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.24611 (15)</td><td rowspan="1" colspan="1">0.63894 (18)</td><td rowspan="1" colspan="1">0.74210 (7)</td><td rowspan="1" colspan="1">0.0244 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H5</td><td rowspan="1" colspan="1">0.2700</td><td rowspan="1" colspan="1">0.6612</td><td rowspan="1" colspan="1">0.7117</td><td rowspan="1" colspan="1">0.029*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.14981 (15)</td><td rowspan="1" colspan="1">0.66765 (17)</td><td rowspan="1" colspan="1">0.75003 (7)</td><td rowspan="1" colspan="1">0.0233 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H6</td><td rowspan="1" colspan="1">0.1086</td><td rowspan="1" colspan="1">0.7080</td><td rowspan="1" colspan="1">0.7248</td><td rowspan="1" colspan="1">0.028*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.11484 (14)</td><td rowspan="1" colspan="1">0.63599 (18)</td><td rowspan="1" colspan="1">0.79586 (7)</td><td rowspan="1" colspan="1">0.0212 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H7</td><td rowspan="1" colspan="1">0.0502</td><td rowspan="1" colspan="1">0.6553</td><td rowspan="1" colspan="1">0.8013</td><td rowspan="1" colspan="1">0.025*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.56534 (12)</td><td rowspan="1" colspan="1">0.68448 (15)</td><td rowspan="1" colspan="1">0.88711 (6)</td><td rowspan="1" colspan="1">0.0142 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.66839 (13)</td><td rowspan="1" colspan="1">0.69391 (16)</td><td rowspan="1" colspan="1">0.88805 (6)</td><td rowspan="1" colspan="1">0.0160 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H12</td><td rowspan="1" colspan="1">0.6962</td><td rowspan="1" colspan="1">0.7659</td><td rowspan="1" colspan="1">0.8756</td><td rowspan="1" colspan="1">0.019*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.72891 (13)</td><td rowspan="1" colspan="1">0.59703 (17)</td><td rowspan="1" colspan="1">0.90730 (6)</td><td rowspan="1" colspan="1">0.0168 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H13</td><td rowspan="1" colspan="1">0.7970</td><td rowspan="1" colspan="1">0.6032</td><td rowspan="1" colspan="1">0.9070</td><td rowspan="1" colspan="1">0.020*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.68800 (13)</td><td rowspan="1" colspan="1">0.49043 (16)</td><td rowspan="1" colspan="1">0.92701 (6)</td><td rowspan="1" colspan="1">0.0178 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H14</td><td rowspan="1" colspan="1">0.7285</td><td rowspan="1" colspan="1">0.4246</td><td rowspan="1" colspan="1">0.9394</td><td rowspan="1" colspan="1">0.021*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.58661 (13)</td><td rowspan="1" colspan="1">0.48238 (16)</td><td rowspan="1" colspan="1">0.92812 (6)</td><td rowspan="1" colspan="1">0.0178 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H15</td><td rowspan="1" colspan="1">0.5596</td><td rowspan="1" colspan="1">0.4123</td><td rowspan="1" colspan="1">0.9425</td><td rowspan="1" colspan="1">0.021*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.52496 (13)</td><td rowspan="1" colspan="1">0.57825 (16)</td><td rowspan="1" colspan="1">0.90794 (6)</td><td rowspan="1" colspan="1">0.0154 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H16</td><td rowspan="1" colspan="1">0.4569</td><td rowspan="1" colspan="1">0.5716</td><td rowspan="1" colspan="1">0.9083</td><td rowspan="1" colspan="1">0.018*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.55372 (12)</td><td rowspan="1" colspan="1">0.94570 (15)</td><td rowspan="1" colspan="1">0.89023 (6)</td><td rowspan="1" colspan="1">0.0136 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.59006 (12)</td><td rowspan="1" colspan="1">1.04369 (16)</td><td rowspan="1" colspan="1">0.86294 (6)</td><td rowspan="1" colspan="1">0.0161 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H22</td><td rowspan="1" colspan="1">0.5778</td><td rowspan="1" colspan="1">1.0452</td><td rowspan="1" colspan="1">0.8277</td><td rowspan="1" colspan="1">0.019*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.64480 (13)</td><td rowspan="1" colspan="1">1.13972 (17)</td><td rowspan="1" colspan="1">0.88827 (7)</td><td rowspan="1" colspan="1">0.0182 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H23</td><td rowspan="1" colspan="1">0.6684</td><td rowspan="1" colspan="1">1.2056</td><td rowspan="1" colspan="1">0.8698</td><td rowspan="1" colspan="1">0.022*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.66425 (13)</td><td rowspan="1" colspan="1">1.13752 (17)</td><td rowspan="1" colspan="1">0.94081 (7)</td><td rowspan="1" colspan="1">0.0195 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H24</td><td rowspan="1" colspan="1">0.7028</td><td rowspan="1" colspan="1">1.2001</td><td rowspan="1" colspan="1">0.9575</td><td rowspan="1" colspan="1">0.023*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.62590 (14)</td><td rowspan="1" colspan="1">1.04144 (17)</td><td rowspan="1" colspan="1">0.96837 (7)</td><td rowspan="1" colspan="1">0.0211 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H25</td><td rowspan="1" colspan="1">0.6374</td><td rowspan="1" colspan="1">1.0408</td><td rowspan="1" colspan="1">1.0037</td><td rowspan="1" colspan="1">0.025*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.57049 (13)</td><td rowspan="1" colspan="1">0.94653 (17)</td><td rowspan="1" colspan="1">0.94329 (6)</td><td rowspan="1" colspan="1">0.0187 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H26</td><td rowspan="1" colspan="1">0.5443</td><td rowspan="1" colspan="1">0.8829</td><td rowspan="1" colspan="1">0.9619</td><td rowspan="1" colspan="1">0.022*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.50225 (12)</td><td rowspan="1" colspan="1">0.81928 (15)</td><td rowspan="1" colspan="1">0.79374 (6)</td><td rowspan="1" colspan="1">0.0135 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.57450 (13)</td><td rowspan="1" colspan="1">0.75263 (17)</td><td rowspan="1" colspan="1">0.77151 (7)</td><td rowspan="1" colspan="1">0.0183 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H32</td><td rowspan="1" colspan="1">0.6192</td><td rowspan="1" colspan="1">0.7031</td><td rowspan="1" colspan="1">0.7917</td><td rowspan="1" colspan="1">0.022*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.58030 (14)</td><td rowspan="1" colspan="1">0.75957 (18)</td><td rowspan="1" colspan="1">0.71953 (7)</td><td rowspan="1" colspan="1">0.0213 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H33</td><td rowspan="1" colspan="1">0.6288</td><td rowspan="1" colspan="1">0.7147</td><td rowspan="1" colspan="1">0.7050</td><td rowspan="1" colspan="1">0.026*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.51386 (14)</td><td rowspan="1" colspan="1">0.83325 (17)</td><td rowspan="1" colspan="1">0.68905 (7)</td><td rowspan="1" colspan="1">0.0211 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H34</td><td rowspan="1" colspan="1">0.5178</td><td rowspan="1" colspan="1">0.8377</td><td rowspan="1" colspan="1">0.6542</td><td rowspan="1" colspan="1">0.025*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.44182 (14)</td><td rowspan="1" colspan="1">0.90008 (17)</td><td rowspan="1" colspan="1">0.71074 (7)</td><td rowspan="1" colspan="1">0.0208 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H35</td><td rowspan="1" colspan="1">0.3974</td><td rowspan="1" colspan="1">0.9498</td><td rowspan="1" colspan="1">0.6904</td><td rowspan="1" colspan="1">0.025*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.43562 (13)</td><td rowspan="1" colspan="1">0.89312 (17)</td><td rowspan="1" colspan="1">0.76278 (7)</td><td rowspan="1" colspan="1">0.0181 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H36</td><td rowspan="1" colspan="1">0.3868</td><td rowspan="1" colspan="1">0.9379</td><td rowspan="1" colspan="1">0.7771</td><td rowspan="1" colspan="1">0.022*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C41</td><td rowspan="1" colspan="1">0.06641 (13)</td><td rowspan="1" colspan="1">0.94975 (16)</td><td rowspan="1" colspan="1">0.88407 (7)</td><td rowspan="1" colspan="1">0.0166 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C42</td><td rowspan="1" colspan="1">−0.01987 (14)</td><td rowspan="1" colspan="1">0.99999 (19)</td><td rowspan="1" colspan="1">0.85980 (8)</td><td rowspan="1" colspan="1">0.0263 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H42</td><td rowspan="1" colspan="1">−0.0179</td><td rowspan="1" colspan="1">1.0465</td><td rowspan="1" colspan="1">0.8301</td><td rowspan="1" colspan="1">0.032*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C43</td><td rowspan="1" colspan="1">−0.10945 (14)</td><td rowspan="1" colspan="1">0.9812 (2)</td><td rowspan="1" colspan="1">0.87964 (9)</td><td rowspan="1" colspan="1">0.0314 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H43</td><td rowspan="1" colspan="1">−0.1670</td><td rowspan="1" colspan="1">1.0157</td><td rowspan="1" colspan="1">0.8633</td><td rowspan="1" colspan="1">0.038*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C44</td><td rowspan="1" colspan="1">−0.11355 (14)</td><td rowspan="1" colspan="1">0.91173 (19)</td><td rowspan="1" colspan="1">0.92340 (8)</td><td rowspan="1" colspan="1">0.0270 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H44</td><td rowspan="1" colspan="1">−0.1735</td><td rowspan="1" colspan="1">0.8999</td><td rowspan="1" colspan="1">0.9367</td><td rowspan="1" colspan="1">0.032*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C45</td><td rowspan="1" colspan="1">−0.02773 (15)</td><td rowspan="1" colspan="1">0.8597 (2)</td><td rowspan="1" colspan="1">0.94747 (8)</td><td rowspan="1" colspan="1">0.0288 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H45</td><td rowspan="1" colspan="1">−0.0301</td><td rowspan="1" colspan="1">0.8124</td><td rowspan="1" colspan="1">0.9769</td><td rowspan="1" colspan="1">0.035*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C46</td><td rowspan="1" colspan="1">0.06196 (14)</td><td rowspan="1" colspan="1">0.87786 (19)</td><td rowspan="1" colspan="1">0.92784 (7)</td><td rowspan="1" colspan="1">0.0242 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H46</td><td rowspan="1" colspan="1">0.1192</td><td rowspan="1" colspan="1">0.8419</td><td rowspan="1" colspan="1">0.9440</td><td rowspan="1" colspan="1">0.029*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C51</td><td rowspan="1" colspan="1">0.23925 (12)</td><td rowspan="1" colspan="1">1.10092 (15)</td><td rowspan="1" colspan="1">0.90686 (6)</td><td rowspan="1" colspan="1">0.0149 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C52</td><td rowspan="1" colspan="1">0.33905 (13)</td><td rowspan="1" colspan="1">1.12973 (16)</td><td rowspan="1" colspan="1">0.90577 (7)</td><td rowspan="1" colspan="1">0.0178 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H52</td><td rowspan="1" colspan="1">0.3765</td><td rowspan="1" colspan="1">1.0845</td><td rowspan="1" colspan="1">0.8846</td><td rowspan="1" colspan="1">0.021*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C53</td><td rowspan="1" colspan="1">0.38268 (14)</td><td rowspan="1" colspan="1">1.22486 (17)</td><td rowspan="1" colspan="1">0.93583 (7)</td><td rowspan="1" colspan="1">0.0216 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H53</td><td rowspan="1" colspan="1">0.4492</td><td rowspan="1" colspan="1">1.2435</td><td rowspan="1" colspan="1">0.9347</td><td rowspan="1" colspan="1">0.026*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C54</td><td rowspan="1" colspan="1">0.32787 (15)</td><td rowspan="1" colspan="1">1.29242 (17)</td><td rowspan="1" colspan="1">0.96757 (7)</td><td rowspan="1" colspan="1">0.0237 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H54</td><td rowspan="1" colspan="1">0.3572</td><td rowspan="1" colspan="1">1.3568</td><td rowspan="1" colspan="1">0.9876</td><td rowspan="1" colspan="1">0.028*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C55</td><td rowspan="1" colspan="1">0.22880 (15)</td><td rowspan="1" colspan="1">1.26367 (18)</td><td rowspan="1" colspan="1">0.96936 (7)</td><td rowspan="1" colspan="1">0.0237 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H55</td><td rowspan="1" colspan="1">0.1920</td><td rowspan="1" colspan="1">1.3084</td><td rowspan="1" colspan="1">0.9910</td><td rowspan="1" colspan="1">0.028*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C56</td><td rowspan="1" colspan="1">0.18420 (14)</td><td rowspan="1" colspan="1">1.16877 (17)</td><td rowspan="1" colspan="1">0.93912 (7)</td><td rowspan="1" colspan="1">0.0206 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H56</td><td rowspan="1" colspan="1">0.1177</td><td rowspan="1" colspan="1">1.1504</td><td rowspan="1" colspan="1">0.9404</td><td rowspan="1" colspan="1">0.025*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C61</td><td rowspan="1" colspan="1">0.16834 (12)</td><td rowspan="1" colspan="1">1.06410 (16)</td><td rowspan="1" colspan="1">0.80372 (6)</td><td rowspan="1" colspan="1">0.0153 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C62</td><td rowspan="1" colspan="1">0.14519 (14)</td><td rowspan="1" colspan="1">1.19195 (17)</td><td rowspan="1" colspan="1">0.80202 (7)</td><td rowspan="1" colspan="1">0.0200 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H62</td><td rowspan="1" colspan="1">0.1353</td><td rowspan="1" colspan="1">1.2345</td><td rowspan="1" colspan="1">0.8318</td><td rowspan="1" colspan="1">0.024*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C63</td><td rowspan="1" colspan="1">0.13683 (14)</td><td rowspan="1" colspan="1">1.25589 (18)</td><td rowspan="1" colspan="1">0.75580 (7)</td><td rowspan="1" colspan="1">0.0233 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H63</td><td rowspan="1" colspan="1">0.1217</td><td rowspan="1" colspan="1">1.3411</td><td rowspan="1" colspan="1">0.7548</td><td rowspan="1" colspan="1">0.028*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C64</td><td rowspan="1" colspan="1">0.15107 (14)</td><td rowspan="1" colspan="1">1.19286 (19)</td><td rowspan="1" colspan="1">0.71128 (7)</td><td rowspan="1" colspan="1">0.0230 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H64</td><td rowspan="1" colspan="1">0.1459</td><td rowspan="1" colspan="1">1.2358</td><td rowspan="1" colspan="1">0.6805</td><td rowspan="1" colspan="1">0.028*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C65</td><td rowspan="1" colspan="1">0.17304 (14)</td><td rowspan="1" colspan="1">1.06573 (19)</td><td rowspan="1" colspan="1">0.71274 (7)</td><td rowspan="1" colspan="1">0.0237 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H65</td><td rowspan="1" colspan="1">0.1819</td><td rowspan="1" colspan="1">1.0231</td><td rowspan="1" colspan="1">0.6828</td><td rowspan="1" colspan="1">0.028*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C66</td><td rowspan="1" colspan="1">0.18175 (13)</td><td rowspan="1" colspan="1">1.00199 (18)</td><td rowspan="1" colspan="1">0.75869 (7)</td><td rowspan="1" colspan="1">0.0192 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H66</td><td rowspan="1" colspan="1">0.1967</td><td rowspan="1" colspan="1">0.9167</td><td rowspan="1" colspan="1">0.7594</td><td rowspan="1" colspan="1">0.023*</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="d1e2062"><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">Ag1</td><td rowspan="1" colspan="1">0.01252 (7)</td><td rowspan="1" colspan="1">0.01365 (6)</td><td rowspan="1" colspan="1">0.01457 (6)</td><td rowspan="1" colspan="1">−0.00079 (4)</td><td rowspan="1" colspan="1">0.00304 (4)</td><td rowspan="1" colspan="1">0.00008 (5)</td></tr><tr><td rowspan="1" colspan="1">S1</td><td rowspan="1" colspan="1">0.0166 (2)</td><td rowspan="1" colspan="1">0.0204 (2)</td><td rowspan="1" colspan="1">0.01331 (19)</td><td rowspan="1" colspan="1">−0.00489 (16)</td><td rowspan="1" colspan="1">0.00144 (15)</td><td rowspan="1" colspan="1">0.00208 (16)</td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">0.01206 (19)</td><td rowspan="1" colspan="1">0.01232 (19)</td><td rowspan="1" colspan="1">0.01342 (19)</td><td rowspan="1" colspan="1">−0.00013 (15)</td><td rowspan="1" colspan="1">0.00226 (15)</td><td rowspan="1" colspan="1">0.00091 (15)</td></tr><tr><td rowspan="1" colspan="1">P2</td><td rowspan="1" colspan="1">0.0125 (2)</td><td rowspan="1" colspan="1">0.0139 (2)</td><td rowspan="1" colspan="1">0.0147 (2)</td><td rowspan="1" colspan="1">0.00012 (15)</td><td rowspan="1" colspan="1">0.00337 (16)</td><td rowspan="1" colspan="1">0.00002 (16)</td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.0186 (7)</td><td rowspan="1" colspan="1">0.0264 (8)</td><td rowspan="1" colspan="1">0.0170 (7)</td><td rowspan="1" colspan="1">−0.0071 (6)</td><td rowspan="1" colspan="1">0.0043 (6)</td><td rowspan="1" colspan="1">0.0003 (6)</td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.0160 (7)</td><td rowspan="1" colspan="1">0.0250 (8)</td><td rowspan="1" colspan="1">0.0178 (7)</td><td rowspan="1" colspan="1">−0.0085 (6)</td><td rowspan="1" colspan="1">0.0036 (6)</td><td rowspan="1" colspan="1">−0.0010 (6)</td></tr><tr><td rowspan="1" colspan="1">N3</td><td rowspan="1" colspan="1">0.0158 (7)</td><td rowspan="1" colspan="1">0.0192 (7)</td><td rowspan="1" colspan="1">0.0258 (8)</td><td rowspan="1" colspan="1">−0.0008 (6)</td><td rowspan="1" colspan="1">0.0057 (6)</td><td rowspan="1" colspan="1">−0.0009 (6)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.0226 (7)</td><td rowspan="1" colspan="1">0.0375 (8)</td><td rowspan="1" colspan="1">0.0274 (7)</td><td rowspan="1" colspan="1">−0.0110 (6)</td><td rowspan="1" colspan="1">0.0122 (6)</td><td rowspan="1" colspan="1">−0.0076 (6)</td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.0222 (7)</td><td rowspan="1" colspan="1">0.0362 (8)</td><td rowspan="1" colspan="1">0.0449 (9)</td><td rowspan="1" colspan="1">−0.0150 (6)</td><td rowspan="1" colspan="1">0.0110 (6)</td><td rowspan="1" colspan="1">−0.0154 (7)</td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.0241 (7)</td><td rowspan="1" colspan="1">0.0499 (9)</td><td rowspan="1" colspan="1">0.0235 (7)</td><td rowspan="1" colspan="1">−0.0120 (7)</td><td rowspan="1" colspan="1">0.0093 (6)</td><td rowspan="1" colspan="1">−0.0110 (7)</td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.0168 (8)</td><td rowspan="1" colspan="1">0.0157 (8)</td><td rowspan="1" colspan="1">0.0175 (8)</td><td rowspan="1" colspan="1">−0.0003 (6)</td><td rowspan="1" colspan="1">0.0033 (6)</td><td rowspan="1" colspan="1">0.0020 (6)</td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.0171 (8)</td><td rowspan="1" colspan="1">0.0184 (8)</td><td rowspan="1" colspan="1">0.0142 (8)</td><td rowspan="1" colspan="1">−0.0059 (7)</td><td rowspan="1" colspan="1">0.0033 (6)</td><td rowspan="1" colspan="1">−0.0021 (6)</td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.0192 (9)</td><td rowspan="1" colspan="1">0.0233 (9)</td><td rowspan="1" colspan="1">0.0179 (8)</td><td rowspan="1" colspan="1">−0.0016 (7)</td><td rowspan="1" colspan="1">0.0004 (7)</td><td rowspan="1" colspan="1">−0.0015 (7)</td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.0212 (9)</td><td rowspan="1" colspan="1">0.0318 (10)</td><td rowspan="1" colspan="1">0.0221 (9)</td><td rowspan="1" colspan="1">−0.0022 (8)</td><td rowspan="1" colspan="1">0.0086 (7)</td><td rowspan="1" colspan="1">−0.0056 (8)</td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.0331 (11)</td><td rowspan="1" colspan="1">0.0249 (10)</td><td rowspan="1" colspan="1">0.0161 (9)</td><td rowspan="1" colspan="1">−0.0078 (8)</td><td rowspan="1" colspan="1">0.0076 (8)</td><td rowspan="1" colspan="1">−0.0037 (7)</td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.0300 (10)</td><td rowspan="1" colspan="1">0.0204 (9)</td><td rowspan="1" colspan="1">0.0183 (9)</td><td rowspan="1" colspan="1">−0.0027 (8)</td><td rowspan="1" colspan="1">−0.0032 (7)</td><td rowspan="1" colspan="1">−0.0008 (7)</td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.0168 (9)</td><td rowspan="1" colspan="1">0.0253 (9)</td><td rowspan="1" colspan="1">0.0214 (9)</td><td rowspan="1" colspan="1">−0.0018 (7)</td><td rowspan="1" colspan="1">0.0007 (7)</td><td rowspan="1" colspan="1">−0.0029 (7)</td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.0164 (8)</td><td rowspan="1" colspan="1">0.0131 (7)</td><td rowspan="1" colspan="1">0.0129 (7)</td><td rowspan="1" colspan="1">0.0005 (6)</td><td rowspan="1" colspan="1">0.0013 (6)</td><td rowspan="1" colspan="1">−0.0007 (6)</td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.0174 (8)</td><td rowspan="1" colspan="1">0.0162 (8)</td><td rowspan="1" colspan="1">0.0150 (8)</td><td rowspan="1" colspan="1">−0.0011 (6)</td><td rowspan="1" colspan="1">0.0037 (6)</td><td rowspan="1" colspan="1">0.0011 (6)</td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.0144 (8)</td><td rowspan="1" colspan="1">0.0223 (9)</td><td rowspan="1" colspan="1">0.0134 (8)</td><td rowspan="1" colspan="1">0.0021 (7)</td><td rowspan="1" colspan="1">0.0010 (6)</td><td rowspan="1" colspan="1">−0.0021 (7)</td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.0231 (9)</td><td rowspan="1" colspan="1">0.0159 (8)</td><td rowspan="1" colspan="1">0.0136 (8)</td><td rowspan="1" colspan="1">0.0049 (7)</td><td rowspan="1" colspan="1">−0.0012 (7)</td><td rowspan="1" colspan="1">−0.0013 (6)</td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.0244 (9)</td><td rowspan="1" colspan="1">0.0123 (8)</td><td rowspan="1" colspan="1">0.0164 (8)</td><td rowspan="1" colspan="1">−0.0021 (7)</td><td rowspan="1" colspan="1">0.0010 (7)</td><td rowspan="1" colspan="1">0.0011 (6)</td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.0159 (8)</td><td rowspan="1" colspan="1">0.0159 (8)</td><td rowspan="1" colspan="1">0.0144 (8)</td><td rowspan="1" colspan="1">−0.0018 (6)</td><td rowspan="1" colspan="1">0.0020 (6)</td><td rowspan="1" colspan="1">−0.0010 (6)</td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.0114 (7)</td><td rowspan="1" colspan="1">0.0135 (8)</td><td rowspan="1" colspan="1">0.0161 (8)</td><td rowspan="1" colspan="1">0.0015 (6)</td><td rowspan="1" colspan="1">0.0022 (6)</td><td rowspan="1" colspan="1">−0.0014 (6)</td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.0169 (8)</td><td rowspan="1" colspan="1">0.0187 (8)</td><td rowspan="1" colspan="1">0.0128 (8)</td><td rowspan="1" colspan="1">−0.0017 (7)</td><td rowspan="1" colspan="1">0.0027 (6)</td><td rowspan="1" colspan="1">−0.0001 (6)</td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.0183 (8)</td><td rowspan="1" colspan="1">0.0175 (8)</td><td rowspan="1" colspan="1">0.0194 (8)</td><td rowspan="1" colspan="1">−0.0029 (7)</td><td rowspan="1" colspan="1">0.0051 (7)</td><td rowspan="1" colspan="1">0.0014 (7)</td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.0186 (9)</td><td rowspan="1" colspan="1">0.0173 (8)</td><td rowspan="1" colspan="1">0.0220 (9)</td><td rowspan="1" colspan="1">−0.0014 (7)</td><td rowspan="1" colspan="1">−0.0009 (7)</td><td rowspan="1" colspan="1">−0.0050 (7)</td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.0288 (10)</td><td rowspan="1" colspan="1">0.0213 (9)</td><td rowspan="1" colspan="1">0.0127 (8)</td><td rowspan="1" colspan="1">0.0016 (7)</td><td rowspan="1" colspan="1">−0.0007 (7)</td><td rowspan="1" colspan="1">−0.0005 (7)</td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.0244 (9)</td><td rowspan="1" colspan="1">0.0168 (8)</td><td rowspan="1" colspan="1">0.0155 (8)</td><td rowspan="1" colspan="1">0.0005 (7)</td><td rowspan="1" colspan="1">0.0043 (7)</td><td rowspan="1" colspan="1">0.0027 (7)</td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.0139 (8)</td><td rowspan="1" colspan="1">0.0137 (8)</td><td rowspan="1" colspan="1">0.0127 (7)</td><td rowspan="1" colspan="1">−0.0033 (6)</td><td rowspan="1" colspan="1">0.0012 (6)</td><td rowspan="1" colspan="1">−0.0001 (6)</td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.0187 (9)</td><td rowspan="1" colspan="1">0.0188 (8)</td><td rowspan="1" colspan="1">0.0172 (8)</td><td rowspan="1" colspan="1">0.0037 (7)</td><td rowspan="1" colspan="1">0.0010 (7)</td><td rowspan="1" colspan="1">0.0002 (7)</td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.0233 (9)</td><td rowspan="1" colspan="1">0.0237 (9)</td><td rowspan="1" colspan="1">0.0177 (8)</td><td rowspan="1" colspan="1">0.0033 (7)</td><td rowspan="1" colspan="1">0.0064 (7)</td><td rowspan="1" colspan="1">−0.0028 (7)</td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.0273 (10)</td><td rowspan="1" colspan="1">0.0220 (9)</td><td rowspan="1" colspan="1">0.0139 (8)</td><td rowspan="1" colspan="1">−0.0034 (7)</td><td rowspan="1" colspan="1">0.0022 (7)</td><td rowspan="1" colspan="1">−0.0007 (7)</td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.0234 (9)</td><td rowspan="1" colspan="1">0.0203 (9)</td><td rowspan="1" colspan="1">0.0177 (8)</td><td rowspan="1" colspan="1">0.0018 (7)</td><td rowspan="1" colspan="1">−0.0023 (7)</td><td rowspan="1" colspan="1">0.0026 (7)</td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.0163 (8)</td><td rowspan="1" colspan="1">0.0194 (8)</td><td rowspan="1" colspan="1">0.0187 (8)</td><td rowspan="1" colspan="1">0.0023 (7)</td><td rowspan="1" colspan="1">0.0024 (7)</td><td rowspan="1" colspan="1">0.0001 (7)</td></tr><tr><td rowspan="1" colspan="1">C41</td><td rowspan="1" colspan="1">0.0157 (8)</td><td rowspan="1" colspan="1">0.0154 (8)</td><td rowspan="1" colspan="1">0.0195 (8)</td><td rowspan="1" colspan="1">−0.0010 (6)</td><td rowspan="1" colspan="1">0.0052 (7)</td><td rowspan="1" colspan="1">−0.0014 (7)</td></tr><tr><td rowspan="1" colspan="1">C42</td><td rowspan="1" colspan="1">0.0187 (9)</td><td rowspan="1" colspan="1">0.0299 (10)</td><td rowspan="1" colspan="1">0.0304 (10)</td><td rowspan="1" colspan="1">0.0013 (8)</td><td rowspan="1" colspan="1">0.0036 (8)</td><td rowspan="1" colspan="1">0.0087 (8)</td></tr><tr><td rowspan="1" colspan="1">C43</td><td rowspan="1" colspan="1">0.0140 (9)</td><td rowspan="1" colspan="1">0.0384 (12)</td><td rowspan="1" colspan="1">0.0419 (12)</td><td rowspan="1" colspan="1">0.0027 (8)</td><td rowspan="1" colspan="1">0.0038 (8)</td><td rowspan="1" colspan="1">0.0075 (10)</td></tr><tr><td rowspan="1" colspan="1">C44</td><td rowspan="1" colspan="1">0.0184 (9)</td><td rowspan="1" colspan="1">0.0279 (10)</td><td rowspan="1" colspan="1">0.0370 (11)</td><td rowspan="1" colspan="1">−0.0036 (8)</td><td rowspan="1" colspan="1">0.0127 (8)</td><td rowspan="1" colspan="1">−0.0025 (9)</td></tr><tr><td rowspan="1" colspan="1">C45</td><td rowspan="1" colspan="1">0.0280 (10)</td><td rowspan="1" colspan="1">0.0315 (11)</td><td rowspan="1" colspan="1">0.0292 (10)</td><td rowspan="1" colspan="1">0.0013 (8)</td><td rowspan="1" colspan="1">0.0134 (8)</td><td rowspan="1" colspan="1">0.0067 (9)</td></tr><tr><td rowspan="1" colspan="1">C46</td><td rowspan="1" colspan="1">0.0187 (9)</td><td rowspan="1" colspan="1">0.0277 (10)</td><td rowspan="1" colspan="1">0.0273 (10)</td><td rowspan="1" colspan="1">0.0044 (7)</td><td rowspan="1" colspan="1">0.0074 (7)</td><td rowspan="1" colspan="1">0.0059 (8)</td></tr><tr><td rowspan="1" colspan="1">C51</td><td rowspan="1" colspan="1">0.0166 (8)</td><td rowspan="1" colspan="1">0.0140 (8)</td><td rowspan="1" colspan="1">0.0140 (8)</td><td rowspan="1" colspan="1">0.0008 (6)</td><td rowspan="1" colspan="1">0.0014 (6)</td><td rowspan="1" colspan="1">0.0021 (6)</td></tr><tr><td rowspan="1" colspan="1">C52</td><td rowspan="1" colspan="1">0.0204 (9)</td><td rowspan="1" colspan="1">0.0167 (8)</td><td rowspan="1" colspan="1">0.0169 (8)</td><td rowspan="1" colspan="1">0.0002 (7)</td><td rowspan="1" colspan="1">0.0042 (7)</td><td rowspan="1" colspan="1">0.0001 (7)</td></tr><tr><td rowspan="1" colspan="1">C53</td><td rowspan="1" colspan="1">0.0221 (9)</td><td rowspan="1" colspan="1">0.0205 (9)</td><td rowspan="1" colspan="1">0.0219 (9)</td><td rowspan="1" colspan="1">−0.0063 (7)</td><td rowspan="1" colspan="1">0.0012 (7)</td><td rowspan="1" colspan="1">0.0018 (7)</td></tr><tr><td rowspan="1" colspan="1">C54</td><td rowspan="1" colspan="1">0.0344 (11)</td><td rowspan="1" colspan="1">0.0175 (9)</td><td rowspan="1" colspan="1">0.0181 (9)</td><td rowspan="1" colspan="1">−0.0032 (8)</td><td rowspan="1" colspan="1">−0.0020 (8)</td><td rowspan="1" colspan="1">−0.0022 (7)</td></tr><tr><td rowspan="1" colspan="1">C55</td><td rowspan="1" colspan="1">0.0294 (10)</td><td rowspan="1" colspan="1">0.0224 (9)</td><td rowspan="1" colspan="1">0.0199 (9)</td><td rowspan="1" colspan="1">0.0038 (8)</td><td rowspan="1" colspan="1">0.0055 (8)</td><td rowspan="1" colspan="1">−0.0043 (7)</td></tr><tr><td rowspan="1" colspan="1">C56</td><td rowspan="1" colspan="1">0.0202 (9)</td><td rowspan="1" colspan="1">0.0229 (9)</td><td rowspan="1" colspan="1">0.0192 (9)</td><td rowspan="1" colspan="1">0.0020 (7)</td><td rowspan="1" colspan="1">0.0042 (7)</td><td rowspan="1" colspan="1">−0.0015 (7)</td></tr><tr><td rowspan="1" colspan="1">C61</td><td rowspan="1" colspan="1">0.0117 (8)</td><td rowspan="1" colspan="1">0.0179 (8)</td><td rowspan="1" colspan="1">0.0165 (8)</td><td rowspan="1" colspan="1">−0.0014 (6)</td><td rowspan="1" colspan="1">0.0027 (6)</td><td rowspan="1" colspan="1">0.0017 (6)</td></tr><tr><td rowspan="1" colspan="1">C62</td><td rowspan="1" colspan="1">0.0212 (9)</td><td rowspan="1" colspan="1">0.0206 (9)</td><td rowspan="1" colspan="1">0.0184 (8)</td><td rowspan="1" colspan="1">0.0013 (7)</td><td rowspan="1" colspan="1">0.0033 (7)</td><td rowspan="1" colspan="1">0.0000 (7)</td></tr><tr><td rowspan="1" colspan="1">C63</td><td rowspan="1" colspan="1">0.0243 (10)</td><td rowspan="1" colspan="1">0.0200 (9)</td><td rowspan="1" colspan="1">0.0253 (9)</td><td rowspan="1" colspan="1">−0.0001 (7)</td><td rowspan="1" colspan="1">0.0007 (8)</td><td rowspan="1" colspan="1">0.0057 (8)</td></tr><tr><td rowspan="1" colspan="1">C64</td><td rowspan="1" colspan="1">0.0176 (9)</td><td rowspan="1" colspan="1">0.0336 (10)</td><td rowspan="1" colspan="1">0.0180 (9)</td><td rowspan="1" colspan="1">−0.0039 (8)</td><td rowspan="1" colspan="1">0.0021 (7)</td><td rowspan="1" colspan="1">0.0077 (8)</td></tr><tr><td rowspan="1" colspan="1">C65</td><td rowspan="1" colspan="1">0.0208 (9)</td><td rowspan="1" colspan="1">0.0346 (11)</td><td rowspan="1" colspan="1">0.0162 (8)</td><td rowspan="1" colspan="1">−0.0033 (8)</td><td rowspan="1" colspan="1">0.0041 (7)</td><td rowspan="1" colspan="1">−0.0027 (8)</td></tr><tr><td rowspan="1" colspan="1">C66</td><td rowspan="1" colspan="1">0.0174 (8)</td><td rowspan="1" colspan="1">0.0211 (9)</td><td rowspan="1" colspan="1">0.0194 (8)</td><td rowspan="1" colspan="1">−0.0014 (7)</td><td rowspan="1" colspan="1">0.0028 (7)</td><td rowspan="1" colspan="1">−0.0024 (7)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, º)</title><table-wrap position="anchor" id="d1e3041"><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">Ag1—P1</td><td rowspan="1" colspan="1">2.4645 (5)</td><td rowspan="1" colspan="1">C24—H24</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Ag1—P2</td><td rowspan="1" colspan="1">2.4693 (4)</td><td rowspan="1" colspan="1">C25—C26</td><td rowspan="1" colspan="1">1.387 (3)</td></tr><tr><td rowspan="1" colspan="1">Ag1—S1</td><td rowspan="1" colspan="1">2.5307 (4)</td><td rowspan="1" colspan="1">C25—H25</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">S1—C1</td><td rowspan="1" colspan="1">1.7098 (18)</td><td rowspan="1" colspan="1">C26—H26</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P1—C11</td><td rowspan="1" colspan="1">1.8208 (17)</td><td rowspan="1" colspan="1">C31—C32</td><td rowspan="1" colspan="1">1.392 (2)</td></tr><tr><td rowspan="1" colspan="1">P1—C31</td><td rowspan="1" colspan="1">1.8260 (17)</td><td rowspan="1" colspan="1">C31—C36</td><td rowspan="1" colspan="1">1.398 (2)</td></tr><tr><td rowspan="1" colspan="1">P1—C21</td><td rowspan="1" colspan="1">1.8262 (17)</td><td rowspan="1" colspan="1">C32—C33</td><td rowspan="1" colspan="1">1.387 (2)</td></tr><tr><td rowspan="1" colspan="1">P2—C41</td><td rowspan="1" colspan="1">1.8222 (18)</td><td rowspan="1" colspan="1">C32—H32</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P2—C51</td><td rowspan="1" colspan="1">1.8235 (17)</td><td rowspan="1" colspan="1">C33—C34</td><td rowspan="1" colspan="1">1.389 (3)</td></tr><tr><td rowspan="1" colspan="1">P2—C61</td><td rowspan="1" colspan="1">1.8241 (17)</td><td rowspan="1" colspan="1">C33—H33</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N1—C1</td><td rowspan="1" colspan="1">1.331 (2)</td><td rowspan="1" colspan="1">C34—C35</td><td rowspan="1" colspan="1">1.384 (3)</td></tr><tr><td rowspan="1" colspan="1">N1—H1A</td><td rowspan="1" colspan="1">0.8600</td><td rowspan="1" colspan="1">C34—H34</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N1—H1B</td><td rowspan="1" colspan="1">0.8600</td><td rowspan="1" colspan="1">C35—C36</td><td rowspan="1" colspan="1">1.389 (2)</td></tr><tr><td rowspan="1" colspan="1">N2—C1</td><td rowspan="1" colspan="1">1.339 (2)</td><td rowspan="1" colspan="1">C35—H35</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N2—C2</td><td rowspan="1" colspan="1">1.426 (2)</td><td rowspan="1" colspan="1">C36—H36</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N2—H2</td><td rowspan="1" colspan="1">0.8600</td><td rowspan="1" colspan="1">C41—C42</td><td rowspan="1" colspan="1">1.385 (3)</td></tr><tr><td rowspan="1" colspan="1">N3—O2</td><td rowspan="1" colspan="1">1.231 (2)</td><td rowspan="1" colspan="1">C41—C46</td><td rowspan="1" colspan="1">1.394 (3)</td></tr><tr><td rowspan="1" colspan="1">N3—O1</td><td rowspan="1" colspan="1">1.2568 (19)</td><td rowspan="1" colspan="1">C42—C43</td><td rowspan="1" colspan="1">1.392 (3)</td></tr><tr><td rowspan="1" colspan="1">N3—O3</td><td rowspan="1" colspan="1">1.264 (2)</td><td rowspan="1" colspan="1">C42—H42</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C2—C3</td><td rowspan="1" colspan="1">1.387 (2)</td><td rowspan="1" colspan="1">C43—C44</td><td rowspan="1" colspan="1">1.379 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C7</td><td rowspan="1" colspan="1">1.389 (2)</td><td rowspan="1" colspan="1">C43—H43</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C3—C4</td><td rowspan="1" colspan="1">1.392 (3)</td><td rowspan="1" colspan="1">C44—C45</td><td rowspan="1" colspan="1">1.385 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—H3</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C44—H44</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C4—C5</td><td rowspan="1" colspan="1">1.380 (3)</td><td rowspan="1" colspan="1">C45—C46</td><td rowspan="1" colspan="1">1.390 (3)</td></tr><tr><td rowspan="1" colspan="1">C4—H4</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C45—H45</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C5—C6</td><td rowspan="1" colspan="1">1.383 (3)</td><td rowspan="1" colspan="1">C46—H46</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C5—H5</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C51—C56</td><td rowspan="1" colspan="1">1.395 (2)</td></tr><tr><td rowspan="1" colspan="1">C6—C7</td><td rowspan="1" colspan="1">1.389 (3)</td><td rowspan="1" colspan="1">C51—C52</td><td rowspan="1" colspan="1">1.396 (2)</td></tr><tr><td rowspan="1" colspan="1">C6—H6</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C52—C53</td><td rowspan="1" colspan="1">1.382 (2)</td></tr><tr><td rowspan="1" colspan="1">C7—H7</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C52—H52</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C11—C16</td><td rowspan="1" colspan="1">1.396 (2)</td><td rowspan="1" colspan="1">C53—C54</td><td rowspan="1" colspan="1">1.382 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—C12</td><td rowspan="1" colspan="1">1.404 (2)</td><td rowspan="1" colspan="1">C53—H53</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C12—C13</td><td rowspan="1" colspan="1">1.383 (2)</td><td rowspan="1" colspan="1">C54—C55</td><td rowspan="1" colspan="1">1.388 (3)</td></tr><tr><td rowspan="1" colspan="1">C12—H12</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C54—H54</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C13—C14</td><td rowspan="1" colspan="1">1.389 (2)</td><td rowspan="1" colspan="1">C55—C56</td><td rowspan="1" colspan="1">1.387 (3)</td></tr><tr><td rowspan="1" colspan="1">C13—H13</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C55—H55</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C14—C15</td><td rowspan="1" colspan="1">1.386 (3)</td><td rowspan="1" colspan="1">C56—H56</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C14—H14</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C61—C66</td><td rowspan="1" colspan="1">1.391 (2)</td></tr><tr><td rowspan="1" colspan="1">C15—C16</td><td rowspan="1" colspan="1">1.391 (2)</td><td rowspan="1" colspan="1">C61—C62</td><td rowspan="1" colspan="1">1.396 (2)</td></tr><tr><td rowspan="1" colspan="1">C15—H15</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C62—C63</td><td rowspan="1" colspan="1">1.393 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—H16</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C62—H62</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C21—C22</td><td rowspan="1" colspan="1">1.389 (2)</td><td rowspan="1" colspan="1">C63—C64</td><td rowspan="1" colspan="1">1.386 (3)</td></tr><tr><td rowspan="1" colspan="1">C21—C26</td><td rowspan="1" colspan="1">1.397 (2)</td><td rowspan="1" colspan="1">C63—H63</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C22—C23</td><td rowspan="1" colspan="1">1.394 (2)</td><td rowspan="1" colspan="1">C64—C65</td><td rowspan="1" colspan="1">1.385 (3)</td></tr><tr><td rowspan="1" colspan="1">C22—H22</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C64—H64</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C23—C24</td><td rowspan="1" colspan="1">1.387 (2)</td><td rowspan="1" colspan="1">C65—C66</td><td rowspan="1" colspan="1">1.386 (3)</td></tr><tr><td rowspan="1" colspan="1">C23—H23</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C65—H65</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C24—C25</td><td rowspan="1" colspan="1">1.389 (3)</td><td rowspan="1" colspan="1">C66—H66</td><td rowspan="1" colspan="1">0.9300</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">P1—Ag1—P2</td><td rowspan="1" colspan="1">127.556 (15)</td><td rowspan="1" colspan="1">C26—C25—H25</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">P1—Ag1—S1</td><td rowspan="1" colspan="1">113.029 (15)</td><td rowspan="1" colspan="1">C24—C25—H25</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">P2—Ag1—S1</td><td rowspan="1" colspan="1">112.694 (15)</td><td rowspan="1" colspan="1">C25—C26—C21</td><td rowspan="1" colspan="1">120.50 (16)</td></tr><tr><td rowspan="1" colspan="1">C1—S1—Ag1</td><td rowspan="1" colspan="1">109.30 (6)</td><td rowspan="1" colspan="1">C25—C26—H26</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C11—P1—C31</td><td rowspan="1" colspan="1">105.62 (8)</td><td rowspan="1" colspan="1">C21—C26—H26</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C11—P1—C21</td><td rowspan="1" colspan="1">99.64 (8)</td><td rowspan="1" colspan="1">C32—C31—C36</td><td rowspan="1" colspan="1">118.88 (15)</td></tr><tr><td rowspan="1" colspan="1">C31—P1—C21</td><td rowspan="1" colspan="1">105.30 (8)</td><td rowspan="1" colspan="1">C32—C31—P1</td><td rowspan="1" colspan="1">123.80 (13)</td></tr><tr><td rowspan="1" colspan="1">C11—P1—Ag1</td><td rowspan="1" colspan="1">118.36 (6)</td><td rowspan="1" colspan="1">C36—C31—P1</td><td rowspan="1" colspan="1">117.27 (13)</td></tr><tr><td rowspan="1" colspan="1">C31—P1—Ag1</td><td rowspan="1" colspan="1">111.81 (6)</td><td rowspan="1" colspan="1">C33—C32—C31</td><td rowspan="1" colspan="1">120.52 (16)</td></tr><tr><td rowspan="1" colspan="1">C21—P1—Ag1</td><td rowspan="1" colspan="1">114.63 (5)</td><td rowspan="1" colspan="1">C33—C32—H32</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C41—P2—C51</td><td rowspan="1" colspan="1">103.41 (8)</td><td rowspan="1" colspan="1">C31—C32—H32</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C41—P2—C61</td><td rowspan="1" colspan="1">106.55 (8)</td><td rowspan="1" colspan="1">C32—C33—C34</td><td rowspan="1" colspan="1">120.23 (17)</td></tr><tr><td rowspan="1" colspan="1">C51—P2—C61</td><td rowspan="1" colspan="1">101.36 (8)</td><td rowspan="1" colspan="1">C32—C33—H33</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C41—P2—Ag1</td><td rowspan="1" colspan="1">117.14 (6)</td><td rowspan="1" colspan="1">C34—C33—H33</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C51—P2—Ag1</td><td rowspan="1" colspan="1">104.48 (6)</td><td rowspan="1" colspan="1">C35—C34—C33</td><td rowspan="1" colspan="1">119.75 (17)</td></tr><tr><td rowspan="1" colspan="1">C61—P2—Ag1</td><td rowspan="1" colspan="1">121.15 (6)</td><td rowspan="1" colspan="1">C35—C34—H34</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">C1—N1—H1A</td><td rowspan="1" colspan="1">120.0</td><td rowspan="1" colspan="1">C33—C34—H34</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">C1—N1—H1B</td><td rowspan="1" colspan="1">120.0</td><td rowspan="1" colspan="1">C34—C35—C36</td><td rowspan="1" colspan="1">120.19 (17)</td></tr><tr><td rowspan="1" colspan="1">H1A—N1—H1B</td><td rowspan="1" colspan="1">120.0</td><td rowspan="1" colspan="1">C34—C35—H35</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C1—N2—C2</td><td rowspan="1" colspan="1">127.91 (15)</td><td rowspan="1" colspan="1">C36—C35—H35</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C1—N2—H2</td><td rowspan="1" colspan="1">116.0</td><td rowspan="1" colspan="1">C35—C36—C31</td><td rowspan="1" colspan="1">120.42 (16)</td></tr><tr><td rowspan="1" colspan="1">C2—N2—H2</td><td rowspan="1" colspan="1">116.0</td><td rowspan="1" colspan="1">C35—C36—H36</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">O2—N3—O1</td><td rowspan="1" colspan="1">120.45 (16)</td><td rowspan="1" colspan="1">C31—C36—H36</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">O2—N3—O3</td><td rowspan="1" colspan="1">120.53 (15)</td><td rowspan="1" colspan="1">C42—C41—C46</td><td rowspan="1" colspan="1">119.18 (17)</td></tr><tr><td rowspan="1" colspan="1">O1—N3—O3</td><td rowspan="1" colspan="1">119.01 (15)</td><td rowspan="1" colspan="1">C42—C41—P2</td><td rowspan="1" colspan="1">123.50 (14)</td></tr><tr><td rowspan="1" colspan="1">N1—C1—N2</td><td rowspan="1" colspan="1">115.86 (16)</td><td rowspan="1" colspan="1">C46—C41—P2</td><td rowspan="1" colspan="1">117.26 (13)</td></tr><tr><td rowspan="1" colspan="1">N1—C1—S1</td><td rowspan="1" colspan="1">119.06 (13)</td><td rowspan="1" colspan="1">C41—C42—C43</td><td rowspan="1" colspan="1">120.24 (18)</td></tr><tr><td rowspan="1" colspan="1">N2—C1—S1</td><td rowspan="1" colspan="1">125.06 (13)</td><td rowspan="1" colspan="1">C41—C42—H42</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C3—C2—C7</td><td rowspan="1" colspan="1">120.16 (16)</td><td rowspan="1" colspan="1">C43—C42—H42</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C3—C2—N2</td><td rowspan="1" colspan="1">122.09 (16)</td><td rowspan="1" colspan="1">C44—C43—C42</td><td rowspan="1" colspan="1">120.54 (19)</td></tr><tr><td rowspan="1" colspan="1">C7—C2—N2</td><td rowspan="1" colspan="1">117.64 (16)</td><td rowspan="1" colspan="1">C44—C43—H43</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4</td><td rowspan="1" colspan="1">119.35 (17)</td><td rowspan="1" colspan="1">C42—C43—H43</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C2—C3—H3</td><td rowspan="1" colspan="1">120.3</td><td rowspan="1" colspan="1">C43—C44—C45</td><td rowspan="1" colspan="1">119.52 (18)</td></tr><tr><td rowspan="1" colspan="1">C4—C3—H3</td><td rowspan="1" colspan="1">120.3</td><td rowspan="1" colspan="1">C43—C44—H44</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">C5—C4—C3</td><td rowspan="1" colspan="1">120.43 (18)</td><td rowspan="1" colspan="1">C45—C44—H44</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">C5—C4—H4</td><td rowspan="1" colspan="1">119.8</td><td rowspan="1" colspan="1">C44—C45—C46</td><td rowspan="1" colspan="1">120.28 (19)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—H4</td><td rowspan="1" colspan="1">119.8</td><td rowspan="1" colspan="1">C44—C45—H45</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C6</td><td rowspan="1" colspan="1">120.25 (18)</td><td rowspan="1" colspan="1">C46—C45—H45</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C4—C5—H5</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">C45—C46—C41</td><td rowspan="1" colspan="1">120.23 (18)</td></tr><tr><td rowspan="1" colspan="1">C6—C5—H5</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">C45—C46—H46</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C7</td><td rowspan="1" colspan="1">119.74 (18)</td><td rowspan="1" colspan="1">C41—C46—H46</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C5—C6—H6</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C56—C51—C52</td><td rowspan="1" colspan="1">119.07 (16)</td></tr><tr><td rowspan="1" colspan="1">C7—C6—H6</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C56—C51—P2</td><td rowspan="1" colspan="1">124.06 (13)</td></tr><tr><td rowspan="1" colspan="1">C2—C7—C6</td><td rowspan="1" colspan="1">120.05 (17)</td><td rowspan="1" colspan="1">C52—C51—P2</td><td rowspan="1" colspan="1">116.84 (13)</td></tr><tr><td rowspan="1" colspan="1">C2—C7—H7</td><td rowspan="1" colspan="1">120.0</td><td rowspan="1" colspan="1">C53—C52—C51</td><td rowspan="1" colspan="1">120.60 (17)</td></tr><tr><td rowspan="1" colspan="1">C6—C7—H7</td><td rowspan="1" colspan="1">120.0</td><td rowspan="1" colspan="1">C53—C52—H52</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C16—C11—C12</td><td rowspan="1" colspan="1">119.03 (15)</td><td rowspan="1" colspan="1">C51—C52—H52</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C16—C11—P1</td><td rowspan="1" colspan="1">120.35 (13)</td><td rowspan="1" colspan="1">C52—C53—C54</td><td rowspan="1" colspan="1">120.24 (18)</td></tr><tr><td rowspan="1" colspan="1">C12—C11—P1</td><td rowspan="1" colspan="1">120.58 (13)</td><td rowspan="1" colspan="1">C52—C53—H53</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C13—C12—C11</td><td rowspan="1" colspan="1">120.56 (16)</td><td rowspan="1" colspan="1">C54—C53—H53</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C13—C12—H12</td><td rowspan="1" colspan="1">119.7</td><td rowspan="1" colspan="1">C53—C54—C55</td><td rowspan="1" colspan="1">119.64 (17)</td></tr><tr><td rowspan="1" colspan="1">C11—C12—H12</td><td rowspan="1" colspan="1">119.7</td><td rowspan="1" colspan="1">C53—C54—H54</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">C12—C13—C14</td><td rowspan="1" colspan="1">120.01 (16)</td><td rowspan="1" colspan="1">C55—C54—H54</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">C12—C13—H13</td><td rowspan="1" colspan="1">120.0</td><td rowspan="1" colspan="1">C56—C55—C54</td><td rowspan="1" colspan="1">120.54 (18)</td></tr><tr><td rowspan="1" colspan="1">C14—C13—H13</td><td rowspan="1" colspan="1">120.0</td><td rowspan="1" colspan="1">C56—C55—H55</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C15—C14—C13</td><td rowspan="1" colspan="1">119.86 (16)</td><td rowspan="1" colspan="1">C54—C55—H55</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C15—C14—H14</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C55—C56—C51</td><td rowspan="1" colspan="1">119.91 (17)</td></tr><tr><td rowspan="1" colspan="1">C13—C14—H14</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C55—C56—H56</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">C14—C15—C16</td><td rowspan="1" colspan="1">120.54 (16)</td><td rowspan="1" colspan="1">C51—C56—H56</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">C14—C15—H15</td><td rowspan="1" colspan="1">119.7</td><td rowspan="1" colspan="1">C66—C61—C62</td><td rowspan="1" colspan="1">119.03 (16)</td></tr><tr><td rowspan="1" colspan="1">C16—C15—H15</td><td rowspan="1" colspan="1">119.7</td><td rowspan="1" colspan="1">C66—C61—P2</td><td rowspan="1" colspan="1">118.99 (13)</td></tr><tr><td rowspan="1" colspan="1">C15—C16—C11</td><td rowspan="1" colspan="1">119.92 (16)</td><td rowspan="1" colspan="1">C62—C61—P2</td><td rowspan="1" colspan="1">121.89 (13)</td></tr><tr><td rowspan="1" colspan="1">C15—C16—H16</td><td rowspan="1" colspan="1">120.0</td><td rowspan="1" colspan="1">C63—C62—C61</td><td rowspan="1" colspan="1">120.10 (17)</td></tr><tr><td rowspan="1" colspan="1">C11—C16—H16</td><td rowspan="1" colspan="1">120.0</td><td rowspan="1" colspan="1">C63—C62—H62</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C22—C21—C26</td><td rowspan="1" colspan="1">119.17 (15)</td><td rowspan="1" colspan="1">C61—C62—H62</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C22—C21—P1</td><td rowspan="1" colspan="1">124.26 (13)</td><td rowspan="1" colspan="1">C64—C63—C62</td><td rowspan="1" colspan="1">120.18 (18)</td></tr><tr><td rowspan="1" colspan="1">C26—C21—P1</td><td rowspan="1" colspan="1">116.56 (13)</td><td rowspan="1" colspan="1">C64—C63—H63</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C21—C22—C23</td><td rowspan="1" colspan="1">120.20 (16)</td><td rowspan="1" colspan="1">C62—C63—H63</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C21—C22—H22</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">C65—C64—C63</td><td rowspan="1" colspan="1">119.90 (17)</td></tr><tr><td rowspan="1" colspan="1">C23—C22—H22</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">C65—C64—H64</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">C24—C23—C22</td><td rowspan="1" colspan="1">120.30 (16)</td><td rowspan="1" colspan="1">C63—C64—H64</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">C24—C23—H23</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">C64—C65—C66</td><td rowspan="1" colspan="1">120.05 (18)</td></tr><tr><td rowspan="1" colspan="1">C22—C23—H23</td><td rowspan="1" colspan="1">119.8</td><td rowspan="1" colspan="1">C64—C65—H65</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">C23—C24—C25</td><td rowspan="1" colspan="1">119.70 (16)</td><td rowspan="1" colspan="1">C66—C65—H65</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">C23—C24—H24</td><td rowspan="1" colspan="1">120.2</td><td rowspan="1" colspan="1">C65—C66—C61</td><td rowspan="1" colspan="1">120.74 (17)</td></tr><tr><td rowspan="1" colspan="1">C25—C24—H24</td><td rowspan="1" colspan="1">120.2</td><td rowspan="1" colspan="1">C65—C66—H66</td><td rowspan="1" colspan="1">119.6</td></tr><tr><td rowspan="1" colspan="1">C26—C25—C24</td><td rowspan="1" colspan="1">120.06 (16)</td><td rowspan="1" colspan="1">C61—C66—H66</td><td rowspan="1" colspan="1">119.6</td></tr><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2—N2—C1—N1</td><td rowspan="1" colspan="1">172.88 (17)</td><td rowspan="1" colspan="1">P1—C31—C32—C33</td><td rowspan="1" colspan="1">177.53 (14)</td></tr><tr><td rowspan="1" colspan="1">C2—N2—C1—S1</td><td rowspan="1" colspan="1">−8.7 (3)</td><td rowspan="1" colspan="1">C31—C32—C33—C34</td><td rowspan="1" colspan="1">0.0 (3)</td></tr><tr><td rowspan="1" colspan="1">Ag1—S1—C1—N1</td><td rowspan="1" colspan="1">−147.45 (13)</td><td rowspan="1" colspan="1">C32—C33—C34—C35</td><td rowspan="1" colspan="1">0.1 (3)</td></tr><tr><td rowspan="1" colspan="1">Ag1—S1—C1—N2</td><td rowspan="1" colspan="1">34.16 (17)</td><td rowspan="1" colspan="1">C33—C34—C35—C36</td><td rowspan="1" colspan="1">−0.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—N2—C2—C3</td><td rowspan="1" colspan="1">61.7 (3)</td><td rowspan="1" colspan="1">C34—C35—C36—C31</td><td rowspan="1" colspan="1">0.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—N2—C2—C7</td><td rowspan="1" colspan="1">−122.0 (2)</td><td rowspan="1" colspan="1">C32—C31—C36—C35</td><td rowspan="1" colspan="1">−0.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C7—C2—C3—C4</td><td rowspan="1" colspan="1">2.0 (3)</td><td rowspan="1" colspan="1">P1—C31—C36—C35</td><td rowspan="1" colspan="1">−177.86 (14)</td></tr><tr><td rowspan="1" colspan="1">N2—C2—C3—C4</td><td rowspan="1" colspan="1">178.19 (17)</td><td rowspan="1" colspan="1">C51—P2—C41—C42</td><td rowspan="1" colspan="1">99.52 (17)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4—C5</td><td rowspan="1" colspan="1">−1.1 (3)</td><td rowspan="1" colspan="1">C61—P2—C41—C42</td><td rowspan="1" colspan="1">−6.87 (18)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5—C6</td><td rowspan="1" colspan="1">−0.4 (3)</td><td rowspan="1" colspan="1">Ag1—P2—C41—C42</td><td rowspan="1" colspan="1">−146.22 (15)</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C6—C7</td><td rowspan="1" colspan="1">1.0 (3)</td><td rowspan="1" colspan="1">C51—P2—C41—C46</td><td rowspan="1" colspan="1">−77.57 (15)</td></tr><tr><td rowspan="1" colspan="1">C3—C2—C7—C6</td><td rowspan="1" colspan="1">−1.4 (3)</td><td rowspan="1" colspan="1">C61—P2—C41—C46</td><td rowspan="1" colspan="1">176.04 (14)</td></tr><tr><td rowspan="1" colspan="1">N2—C2—C7—C6</td><td rowspan="1" colspan="1">−177.76 (16)</td><td rowspan="1" colspan="1">Ag1—P2—C41—C46</td><td rowspan="1" colspan="1">36.69 (16)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C7—C2</td><td rowspan="1" colspan="1">−0.1 (3)</td><td rowspan="1" colspan="1">C46—C41—C42—C43</td><td rowspan="1" colspan="1">1.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C31—P1—C11—C16</td><td rowspan="1" colspan="1">−117.34 (14)</td><td rowspan="1" colspan="1">P2—C41—C42—C43</td><td rowspan="1" colspan="1">−175.56 (16)</td></tr><tr><td rowspan="1" colspan="1">C21—P1—C11—C16</td><td rowspan="1" colspan="1">133.67 (14)</td><td rowspan="1" colspan="1">C41—C42—C43—C44</td><td rowspan="1" colspan="1">−0.4 (3)</td></tr><tr><td rowspan="1" colspan="1">Ag1—P1—C11—C16</td><td rowspan="1" colspan="1">8.77 (16)</td><td rowspan="1" colspan="1">C42—C43—C44—C45</td><td rowspan="1" colspan="1">−0.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C31—P1—C11—C12</td><td rowspan="1" colspan="1">65.03 (15)</td><td rowspan="1" colspan="1">C43—C44—C45—C46</td><td rowspan="1" colspan="1">0.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C21—P1—C11—C12</td><td rowspan="1" colspan="1">−43.97 (15)</td><td rowspan="1" colspan="1">C44—C45—C46—C41</td><td rowspan="1" colspan="1">0.7 (3)</td></tr><tr><td rowspan="1" colspan="1">Ag1—P1—C11—C12</td><td rowspan="1" colspan="1">−168.87 (11)</td><td rowspan="1" colspan="1">C42—C41—C46—C45</td><td rowspan="1" colspan="1">−1.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—C11—C12—C13</td><td rowspan="1" colspan="1">2.8 (2)</td><td rowspan="1" colspan="1">P2—C41—C46—C45</td><td rowspan="1" colspan="1">175.61 (16)</td></tr><tr><td rowspan="1" colspan="1">P1—C11—C12—C13</td><td rowspan="1" colspan="1">−179.50 (13)</td><td rowspan="1" colspan="1">C41—P2—C51—C56</td><td rowspan="1" colspan="1">−11.67 (17)</td></tr><tr><td rowspan="1" colspan="1">C11—C12—C13—C14</td><td rowspan="1" colspan="1">−1.5 (3)</td><td rowspan="1" colspan="1">C61—P2—C51—C56</td><td rowspan="1" colspan="1">98.60 (16)</td></tr><tr><td rowspan="1" colspan="1">C12—C13—C14—C15</td><td rowspan="1" colspan="1">−1.1 (3)</td><td rowspan="1" colspan="1">Ag1—P2—C51—C56</td><td rowspan="1" colspan="1">−134.76 (14)</td></tr><tr><td rowspan="1" colspan="1">C13—C14—C15—C16</td><td rowspan="1" colspan="1">2.4 (3)</td><td rowspan="1" colspan="1">C41—P2—C51—C52</td><td rowspan="1" colspan="1">170.39 (13)</td></tr><tr><td rowspan="1" colspan="1">C14—C15—C16—C11</td><td rowspan="1" colspan="1">−1.0 (3)</td><td rowspan="1" colspan="1">C61—P2—C51—C52</td><td rowspan="1" colspan="1">−79.34 (14)</td></tr><tr><td rowspan="1" colspan="1">C12—C11—C16—C15</td><td rowspan="1" colspan="1">−1.6 (2)</td><td rowspan="1" colspan="1">Ag1—P2—C51—C52</td><td rowspan="1" colspan="1">47.30 (14)</td></tr><tr><td rowspan="1" colspan="1">P1—C11—C16—C15</td><td rowspan="1" colspan="1">−179.23 (13)</td><td rowspan="1" colspan="1">C56—C51—C52—C53</td><td rowspan="1" colspan="1">−0.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—P1—C21—C22</td><td rowspan="1" colspan="1">121.60 (15)</td><td rowspan="1" colspan="1">P2—C51—C52—C53</td><td rowspan="1" colspan="1">177.44 (14)</td></tr><tr><td rowspan="1" colspan="1">C31—P1—C21—C22</td><td rowspan="1" colspan="1">12.36 (16)</td><td rowspan="1" colspan="1">C51—C52—C53—C54</td><td rowspan="1" colspan="1">0.3 (3)</td></tr><tr><td rowspan="1" colspan="1">Ag1—P1—C21—C22</td><td rowspan="1" colspan="1">−110.96 (14)</td><td rowspan="1" colspan="1">C52—C53—C54—C55</td><td rowspan="1" colspan="1">0.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—P1—C21—C26</td><td rowspan="1" colspan="1">−57.49 (14)</td><td rowspan="1" colspan="1">C53—C54—C55—C56</td><td rowspan="1" colspan="1">−0.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C31—P1—C21—C26</td><td rowspan="1" colspan="1">−166.73 (13)</td><td rowspan="1" colspan="1">C54—C55—C56—C51</td><td rowspan="1" colspan="1">0.4 (3)</td></tr><tr><td rowspan="1" colspan="1">Ag1—P1—C21—C26</td><td rowspan="1" colspan="1">69.95 (14)</td><td rowspan="1" colspan="1">C52—C51—C56—C55</td><td rowspan="1" colspan="1">0.2 (3)</td></tr><tr><td rowspan="1" colspan="1">C26—C21—C22—C23</td><td rowspan="1" colspan="1">1.7 (3)</td><td rowspan="1" colspan="1">P2—C51—C56—C55</td><td rowspan="1" colspan="1">−177.65 (14)</td></tr><tr><td rowspan="1" colspan="1">P1—C21—C22—C23</td><td rowspan="1" colspan="1">−177.36 (13)</td><td rowspan="1" colspan="1">C41—P2—C61—C66</td><td rowspan="1" colspan="1">−106.80 (14)</td></tr><tr><td rowspan="1" colspan="1">C21—C22—C23—C24</td><td rowspan="1" colspan="1">0.7 (3)</td><td rowspan="1" colspan="1">C51—P2—C61—C66</td><td rowspan="1" colspan="1">145.35 (14)</td></tr><tr><td rowspan="1" colspan="1">C22—C23—C24—C25</td><td rowspan="1" colspan="1">−2.3 (3)</td><td rowspan="1" colspan="1">Ag1—P2—C61—C66</td><td rowspan="1" colspan="1">30.55 (16)</td></tr><tr><td rowspan="1" colspan="1">C23—C24—C25—C26</td><td rowspan="1" colspan="1">1.6 (3)</td><td rowspan="1" colspan="1">C41—P2—C61—C62</td><td rowspan="1" colspan="1">76.64 (16)</td></tr><tr><td rowspan="1" colspan="1">C24—C25—C26—C21</td><td rowspan="1" colspan="1">0.8 (3)</td><td rowspan="1" colspan="1">C51—P2—C61—C62</td><td rowspan="1" colspan="1">−31.20 (16)</td></tr><tr><td rowspan="1" colspan="1">C22—C21—C26—C25</td><td rowspan="1" colspan="1">−2.4 (3)</td><td rowspan="1" colspan="1">Ag1—P2—C61—C62</td><td rowspan="1" colspan="1">−146.00 (13)</td></tr><tr><td rowspan="1" colspan="1">P1—C21—C26—C25</td><td rowspan="1" colspan="1">176.72 (14)</td><td rowspan="1" colspan="1">C66—C61—C62—C63</td><td rowspan="1" colspan="1">−0.7 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—P1—C31—C32</td><td rowspan="1" colspan="1">−9.27 (17)</td><td rowspan="1" colspan="1">P2—C61—C62—C63</td><td rowspan="1" colspan="1">175.88 (14)</td></tr><tr><td rowspan="1" colspan="1">C21—P1—C31—C32</td><td rowspan="1" colspan="1">95.60 (15)</td><td rowspan="1" colspan="1">C61—C62—C63—C64</td><td rowspan="1" colspan="1">0.2 (3)</td></tr><tr><td rowspan="1" colspan="1">Ag1—P1—C31—C32</td><td rowspan="1" colspan="1">−139.30 (13)</td><td rowspan="1" colspan="1">C62—C63—C64—C65</td><td rowspan="1" colspan="1">0.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—P1—C31—C36</td><td rowspan="1" colspan="1">168.20 (13)</td><td rowspan="1" colspan="1">C63—C64—C65—C66</td><td rowspan="1" colspan="1">−0.7 (3)</td></tr><tr><td rowspan="1" colspan="1">C21—P1—C31—C36</td><td rowspan="1" colspan="1">−86.92 (14)</td><td rowspan="1" colspan="1">C64—C65—C66—C61</td><td rowspan="1" colspan="1">0.2 (3)</td></tr><tr><td rowspan="1" colspan="1">Ag1—P1—C31—C36</td><td rowspan="1" colspan="1">38.18 (14)</td><td rowspan="1" colspan="1">C62—C61—C66—C65</td><td rowspan="1" colspan="1">0.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C36—C31—C32—C33</td><td rowspan="1" colspan="1">0.1 (3)</td><td rowspan="1" colspan="1">P2—C61—C66—C65</td><td rowspan="1" colspan="1">−176.21 (14)</td></tr></table></table-wrap></sec><sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, º)</title><p>Cg2 is the centroid of the C11–C16 ring.</p><table-wrap position="anchor" id="d1e4750"><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">N1—H1<italic>A</italic>···O3<sup>i</sup></td><td rowspan="1" colspan="1">0.86</td><td rowspan="1" colspan="1">2.02</td><td rowspan="1" colspan="1">2.877 (2)</td><td rowspan="1" colspan="1">180</td></tr><tr><td rowspan="1" colspan="1">N1—H1<italic>B</italic>···O3<sup>ii</sup></td><td rowspan="1" colspan="1">0.86</td><td rowspan="1" colspan="1">2.17</td><td rowspan="1" colspan="1">2.921 (2)</td><td rowspan="1" colspan="1">145</td></tr><tr><td rowspan="1" colspan="1">N2—H2···O1<sup>i</sup></td><td rowspan="1" colspan="1">0.86</td><td rowspan="1" colspan="1">1.97</td><td rowspan="1" colspan="1">2.823 (2)</td><td rowspan="1" colspan="1">171</td></tr><tr><td rowspan="1" colspan="1">C35—H35···<italic>Cg</italic>2<sup>iii</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.97</td><td rowspan="1" colspan="1">3.746 (2)</td><td rowspan="1" colspan="1">142</td></tr><tr><td rowspan="1" colspan="1">C54—H54···<italic>Cg</italic>2<sup>iv</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.82</td><td rowspan="1" colspan="1">3.531 (2)</td><td rowspan="1" colspan="1">134</td></tr></table></table-wrap><p>Symmetry codes: (i) <italic>x</italic>−1, <italic>y</italic>, <italic>z</italic>; (ii) −<italic>x</italic>+1, −<italic>y</italic>+1, −<italic>z</italic>+2; (iii) −<italic>x</italic>+1, <italic>y</italic>+1/2, −<italic>z</italic>+3/2; (iv) −<italic>x</italic>+1, −<italic>y</italic>+2, −<italic>z</italic>+2.</p></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">Aslanidis, P., Karagiannidis, P., Akrivos, P. 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Chem.</italic><bold>40</bold>, 3562–3569.</mixed-citation></ref></ref-list></back><floats-group><table-wrap id="table1" position="float"><label>Table 1</label><caption><title>Hydrogen-bond geometry (Å, °)</title><p><italic>Cg</italic>2 is the centroid of the C11–C16 ring.</p></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">N1—H1<italic>A</italic>⋯O3<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.02</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.877 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">180</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N1—H1<italic>B</italic>⋯O3<sup>ii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.17</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.921 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">145</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N2—H2⋯O1<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.97</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.823 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">171</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C35—H35⋯<italic>Cg</italic>2<sup>iii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.97</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.746 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">142</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C54—H54⋯<italic>Cg</italic>2<sup>iv</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.531 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">134</td></tr></tbody></table><table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-70-0m281-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (ii) <inline-formula><inline-graphic xlink:href="e-70-0m281-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iii) <inline-formula><inline-graphic xlink:href="e-70-0m281-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iv) <inline-formula><inline-graphic xlink:href="e-70-0m281-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>.</p></table-wrap-foot></table-wrap></floats-group></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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