AustralieFrV1, Pmc, Corpus, bibRecord, 002220

(Adipato-κ2O,O′)diaqua[bis(pyridin-2-yl-κN)amine]cobalt(II) trihydrate

Identifieur interne : 002220 ( Pmc/Corpus ); précédent : 002219; suivant : 002221

(Adipato-κ2O,O′)diaqua[bis(pyridin-2-yl-κN)amine]cobalt(II) trihydrate

Auteurs : Zouaoui Setifi ; Fatima Setifi ; Graham Smith ; Malika El-Ghozzi ; Djamil-Azzeddine Rouag ; Daniel Avignant ; Hocine Merazig

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2013.

RBID : PMC:3684895

Abstract

In the monomeric title complex, [Co(C₆H₈O₄)(C₁₀H₉N₃)(H₂O)₂]·3H₂O, the distorted octahedral CoN₂O₄ coordination environment comprises two N-atom donors from the bidentate dipyridyldiamine ligand, two O-atom donors from one of the carboxylate groups of the bidentate chelating adipate ligand and two water molecules. In addition, there are three solvent water molecules which are involved in both intra- and inter-unit O—H⋯O hydrogen-bonding interactions, which together with an amine–water N—H⋯O hydrogen bond produce a three-dimensional framework.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684895

DOI: 10.1107/S1600536813012981
PubMed: 23794997
PubMed Central: 3684895

Links to Exploration step

PMC:3684895

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">(Adipato-κ<sup>2</sup>
<italic>O</italic>
,<italic>O</italic>
′)diaqua[bis(pyridin-2-yl-κ<italic>N</italic>
)amine]cobalt(II) trihydrate</title>
<author><name sortKey="Setifi, Zouaoui" sort="Setifi, Zouaoui" uniqKey="Setifi Z" first="Zouaoui" last="Setifi">Zouaoui Setifi</name>
<affiliation><nlm:aff id="a">Département de Technologie, Faculté de Technologie, Université 20 Août 1955 de Skikda, 21000 Skikda,<country>Algeria</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="b">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine I, 25000 Constantine,<country>Algeria</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Setifi, Fatima" sort="Setifi, Fatima" uniqKey="Setifi F" first="Fatima" last="Setifi">Fatima Setifi</name>
<affiliation><nlm:aff id="c">Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas, Sétif I, 19000 Sétif,<country>Algeria</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="b">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine I, 25000 Constantine,<country>Algeria</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Smith, Graham" sort="Smith, Graham" uniqKey="Smith G" first="Graham" last="Smith">Graham Smith</name>
<affiliation><nlm:aff id="d">Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane 4001,<country>Australia</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="El Ghozzi, Malika" sort="El Ghozzi, Malika" uniqKey="El Ghozzi M" first="Malika" last="El-Ghozzi">Malika El-Ghozzi</name>
<affiliation><nlm:aff id="e">Clermont Université, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, BP 10448, 63000 Clermont-Ferrand,<country>France</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="f">CNRS UMR 6296, ICCF, BP 80026, 63171 Aubière,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Rouag, Djamil Azzeddine" sort="Rouag, Djamil Azzeddine" uniqKey="Rouag D" first="Djamil-Azzeddine" last="Rouag">Djamil-Azzeddine Rouag</name>
<affiliation><nlm:aff id="b">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine I, 25000 Constantine,<country>Algeria</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Avignant, Daniel" sort="Avignant, Daniel" uniqKey="Avignant D" first="Daniel" last="Avignant">Daniel Avignant</name>
<affiliation><nlm:aff id="e">Clermont Université, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, BP 10448, 63000 Clermont-Ferrand,<country>France</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="f">CNRS UMR 6296, ICCF, BP 80026, 63171 Aubière,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Merazig, Hocine" sort="Merazig, Hocine" uniqKey="Merazig H" first="Hocine" last="Merazig">Hocine Merazig</name>
<affiliation><nlm:aff id="b">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine I, 25000 Constantine,<country>Algeria</country>
</nlm:aff>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PMC</idno>
<idno type="pmid">23794997</idno>
<idno type="pmc">3684895</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684895</idno>
<idno type="RBID">PMC:3684895</idno>
<idno type="doi">10.1107/S1600536813012981</idno>
<date when="2013">2013</date>
<idno type="wicri:Area/Pmc/Corpus">002220</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">002220</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">(Adipato-κ<sup>2</sup>
<italic>O</italic>
,<italic>O</italic>
′)diaqua[bis(pyridin-2-yl-κ<italic>N</italic>
)amine]cobalt(II) trihydrate</title>
<author><name sortKey="Setifi, Zouaoui" sort="Setifi, Zouaoui" uniqKey="Setifi Z" first="Zouaoui" last="Setifi">Zouaoui Setifi</name>
<affiliation><nlm:aff id="a">Département de Technologie, Faculté de Technologie, Université 20 Août 1955 de Skikda, 21000 Skikda,<country>Algeria</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="b">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine I, 25000 Constantine,<country>Algeria</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Setifi, Fatima" sort="Setifi, Fatima" uniqKey="Setifi F" first="Fatima" last="Setifi">Fatima Setifi</name>
<affiliation><nlm:aff id="c">Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas, Sétif I, 19000 Sétif,<country>Algeria</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="b">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine I, 25000 Constantine,<country>Algeria</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Smith, Graham" sort="Smith, Graham" uniqKey="Smith G" first="Graham" last="Smith">Graham Smith</name>
<affiliation><nlm:aff id="d">Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane 4001,<country>Australia</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="El Ghozzi, Malika" sort="El Ghozzi, Malika" uniqKey="El Ghozzi M" first="Malika" last="El-Ghozzi">Malika El-Ghozzi</name>
<affiliation><nlm:aff id="e">Clermont Université, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, BP 10448, 63000 Clermont-Ferrand,<country>France</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="f">CNRS UMR 6296, ICCF, BP 80026, 63171 Aubière,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Rouag, Djamil Azzeddine" sort="Rouag, Djamil Azzeddine" uniqKey="Rouag D" first="Djamil-Azzeddine" last="Rouag">Djamil-Azzeddine Rouag</name>
<affiliation><nlm:aff id="b">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine I, 25000 Constantine,<country>Algeria</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Avignant, Daniel" sort="Avignant, Daniel" uniqKey="Avignant D" first="Daniel" last="Avignant">Daniel Avignant</name>
<affiliation><nlm:aff id="e">Clermont Université, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, BP 10448, 63000 Clermont-Ferrand,<country>France</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="f">CNRS UMR 6296, ICCF, BP 80026, 63171 Aubière,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Merazig, Hocine" sort="Merazig, Hocine" uniqKey="Merazig H" first="Hocine" last="Merazig">Hocine Merazig</name>
<affiliation><nlm:aff id="b">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine I, 25000 Constantine,<country>Algeria</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="2013">2013</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en"><p>In the monomeric title complex, [Co(C<sub>6</sub>
H<sub>8</sub>
O<sub>4</sub>
)(C<sub>10</sub>
H<sub>9</sub>
N<sub>3</sub>
)(H<sub>2</sub>
O)<sub>2</sub>
]·3H<sub>2</sub>
O, the distorted octahedral CoN<sub>2</sub>
O<sub>4</sub>
 coordination environment comprises two N-atom donors from the bidentate dipyridyldiamine ligand, two O-atom donors from one of the carboxylate groups of the bidentate chelating adipate ligand and two water molecules. In addition, there are three solvent water molecules which are involved in both intra- and inter-unit O—H⋯O hydrogen-bonding interactions, which together with an amine–water N—H⋯O hydrogen bond produce a three-dimensional framework.</p>
</div>
</front>
<back><div1 type="bibliography"><listBibl><biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
</listBibl>
</div1>
</back>
</TEI>
<pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
  <front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr Sect E Struct Rep Online</journal-id>
<journal-id journal-id-type="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">23794997</article-id>
<article-id pub-id-type="pmc">3684895</article-id>
<article-id pub-id-type="publisher-id">sj5322</article-id>
<article-id pub-id-type="doi">10.1107/S1600536813012981</article-id>
<article-id pub-id-type="coden">ACSEBH</article-id>
<article-id pub-id-type="pii">S1600536813012981</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject>
</subj-group>
</article-categories>
<title-group><article-title>(Adipato-κ<sup>2</sup>
<italic>O</italic>
,<italic>O</italic>
′)diaqua[bis(pyridin-2-yl-κ<italic>N</italic>
)amine]cobalt(II) trihydrate</article-title>
<alt-title><italic>[Co(C<sub>6</sub>
H<sub>8</sub>
O<sub>4</sub>
)(C<sub>10</sub>
H<sub>9</sub>
N<sub>3</sub>
)(H<sub>2</sub>
O)<sub>2</sub>
]·3H<sub>2</sub>
O</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Setifi</surname>
<given-names>Zouaoui</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Setifi</surname>
<given-names>Fatima</given-names>
</name>
<xref ref-type="aff" rid="c">c</xref>
<xref ref-type="aff" rid="b">b</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Smith</surname>
<given-names>Graham</given-names>
</name>
<xref ref-type="aff" rid="d">d</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<contrib contrib-type="author"><name><surname>El-Ghozzi</surname>
<given-names>Malika</given-names>
</name>
<xref ref-type="aff" rid="e">e</xref>
<xref ref-type="aff" rid="f">f</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Rouag</surname>
<given-names>Djamil-Azzeddine</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Avignant</surname>
<given-names>Daniel</given-names>
</name>
<xref ref-type="aff" rid="e">e</xref>
<xref ref-type="aff" rid="f">f</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Merazig</surname>
<given-names>Hocine</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<aff id="a"><label>a</label>
Département de Technologie, Faculté de Technologie, Université 20 Août 1955 de Skikda, 21000 Skikda,<country>Algeria</country>
</aff>
<aff id="b"><label>b</label>
Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine I, 25000 Constantine,<country>Algeria</country>
</aff>
<aff id="c"><label>c</label>
Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas, Sétif I, 19000 Sétif,<country>Algeria</country>
</aff>
<aff id="d"><label>d</label>
Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane 4001,<country>Australia</country>
</aff>
<aff id="e"><label>e</label>
Clermont Université, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, BP 10448, 63000 Clermont-Ferrand,<country>France</country>
</aff>
<aff id="f"><label>f</label>
CNRS UMR 6296, ICCF, BP 80026, 63171 Aubière,<country>France</country>
</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>fat_setifi@yahoo.fr</email>
, <email>g.smith@qut.edu.au</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>6</month>
<year>2013</year>
</pub-date>
<pub-date pub-type="epub"><day>22</day>
<month>5</month>
<year>2013</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>22</day>
<month>5</month>
<year>2013</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the 
 							. </pmc-comment>
      <volume>69</volume>
<issue>Pt 6</issue>
<issue-id pub-id-type="publisher-id">e130600</issue-id>
<fpage>m335</fpage>
<lpage>m336</lpage>
<history><date date-type="received"><day>11</day>
<month>5</month>
<year>2013</year>
</date>
<date date-type="accepted"><day>12</day>
<month>5</month>
<year>2013</year>
</date>
</history>
<permissions><copyright-statement>© Setifi et al. 2013</copyright-statement>
<copyright-year>2013</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/S1600536813012981">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract><p>In the monomeric title complex, [Co(C<sub>6</sub>
H<sub>8</sub>
O<sub>4</sub>
)(C<sub>10</sub>
H<sub>9</sub>
N<sub>3</sub>
)(H<sub>2</sub>
O)<sub>2</sub>
]·3H<sub>2</sub>
O, the distorted octahedral CoN<sub>2</sub>
O<sub>4</sub>
 coordination environment comprises two N-atom donors from the bidentate dipyridyldiamine ligand, two O-atom donors from one of the carboxylate groups of the bidentate chelating adipate ligand and two water molecules. In addition, there are three solvent water molecules which are involved in both intra- and inter-unit O—H⋯O hydrogen-bonding interactions, which together with an amine–water N—H⋯O hydrogen bond produce a three-dimensional framework.</p>
</abstract>
</article-meta>
</front>
<body><sec id="sec1"><title>Related literature
 
</title>
<p>For the background to metal-dicarboxylate complexes, see: Rao <italic>et al.</italic>
 (2004<xref ref-type="bibr" rid="bb3"> ▶</xref>
); Setifi <italic>et al.</italic>
 (2006<xref ref-type="bibr" rid="bb5"> ▶</xref>
, 2007<xref ref-type="bibr" rid="bb4"> ▶</xref>
); Wen <italic>et al.</italic>
 (2010<xref ref-type="bibr" rid="bb8"> ▶</xref>
).<chem-struct id="scheme1"><graphic xlink:href="e-69-0m335-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>[Co(C<sub>6</sub>
H<sub>8</sub>
O<sub>4</sub>
)(C<sub>10</sub>
H<sub>9</sub>
N<sub>3</sub>
)(H<sub>2</sub>
O)<sub>2</sub>
]·3H<sub>2</sub>
O</p>
</list-item>
<list-item><p><italic>M</italic>
<italic><sub>r</sub>
</italic>
 = 464.34</p>
</list-item>
<list-item><p>Triclinic, <inline-formula><inline-graphic xlink:href="e-69-0m335-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
</p>
</list-item>
<list-item><p><italic>a</italic>
 = 9.9587 (3) Å</p>
</list-item>
<list-item><p><italic>b</italic>
 = 10.5458 (3) Å</p>
</list-item>
<list-item><p><italic>c</italic>
 = 11.0885 (3) Å</p>
</list-item>
<list-item><p>α = 100.887 (1)°</p>
</list-item>
<list-item><p>β = 105.891 (1)°</p>
</list-item>
<list-item><p>γ = 107.889 (1)°</p>
</list-item>
<list-item><p><italic>V</italic>
 = 1017.38 (5) Å<sup>3</sup>
</p>
</list-item>
<list-item><p><italic>Z</italic>
 = 2</p>
</list-item>
<list-item><p>Mo <italic>K</italic>
α radiation</p>
</list-item>
<list-item><p>μ = 0.90 mm<sup>−1</sup>
</p>
</list-item>
<list-item><p><italic>T</italic>
 = 296 K</p>
</list-item>
<list-item><p>0.26 × 0.21 × 0.18 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 APEXII CCD diffractometer</p>
</list-item>
<list-item><p>Absorption correction: multi-scan (<italic>SADABS</italic>
; Bruker, 2008<xref ref-type="bibr" rid="bb1"> ▶</xref>
) <italic>T</italic>
<sub>min</sub>
 = 0.800, <italic>T</italic>
<sub>max</sub>
 = 0.855</p>
</list-item>
<list-item><p>28998 measured reflections</p>
</list-item>
<list-item><p>8197 independent reflections</p>
</list-item>
<list-item><p>6984 reflections with <italic>I</italic>
 > 2σ(<italic>I</italic>
)</p>
</list-item>
<list-item><p><italic>R</italic>
<sub>int</sub>
 = 0.024</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>
)] = 0.030</p>
</list-item>
<list-item><p><italic>wR</italic>
(<italic>F</italic>
<sup>2</sup>
) = 0.097</p>
</list-item>
<list-item><p><italic>S</italic>
 = 0.99</p>
</list-item>
<list-item><p>8197 reflections</p>
</list-item>
<list-item><p>306 parameters</p>
</list-item>
<list-item><p>1 restraint</p>
</list-item>
<list-item><p>H atoms treated by a mixture of independent and constrained refinement</p>
</list-item>
<list-item><p>Δρ<sub>max</sub>
 = 0.37 e Å<sup>−3</sup>
</p>
</list-item>
<list-item><p>Δρ<sub>min</sub>
 = −0.34 e Å<sup>−3</sup>
</p>
</list-item>
</list>
</p>
</sec>
</sec>
<sec id="d5e720"><title></title>
<p>Data collection: <italic>APEX2</italic>
 (Bruker, 2008<xref ref-type="bibr" rid="bb1"> ▶</xref>
); cell refinement: <italic>SAINT</italic>
 (Bruker, 2008<xref ref-type="bibr" rid="bb1"> ▶</xref>
); data reduction: <italic>SAINT</italic>
; program(s) used to solve structure: <italic>SHELXS97</italic>
 (Sheldrick, 2008<xref ref-type="bibr" rid="bb6"> ▶</xref>
); program(s) used to refine structure: <italic>SHELXL97</italic>
 (Sheldrick, 2008<xref ref-type="bibr" rid="bb6"> ▶</xref>
); molecular graphics: <italic>ORTEP-3 for Windows</italic>
 (Farrugia, 2012<xref ref-type="bibr" rid="bb2"> ▶</xref>
) and <italic>PLATON</italic>
 (Spek, 2009<xref ref-type="bibr" rid="bb7"> ▶</xref>
); software used to prepare material for publication: <italic>PLATON</italic>
 and <italic>publCIF</italic>
 (Westrip, 2010<xref ref-type="bibr" rid="bb9"> ▶</xref>
).</p>
</sec>
</sec>
<sec sec-type="supplementary-material"><title>Supplementary Material</title>
<supplementary-material content-type="local-data"><media xlink:href="e-69-0m335-sup1.cif" mimetype="text" mime-subtype="plain"><caption><p>Click here for additional data file.</p>
</caption>
</media>
<p>Crystal structure: contains datablock(s) global, I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536813012981/sj5322sup1.cif">10.1107/S1600536813012981/sj5322sup1.cif</ext-link>
</p>
<media xlink:href="e-69-0m335-sup1.cif" xlink:type="simple" id="d35e223" position="anchor" mimetype="text" mime-subtype="plain"></media>
</supplementary-material>
<supplementary-material content-type="local-data"><media xlink:href="e-69-0m335-Isup2.hkl" mimetype="text" mime-subtype="plain"><caption><p>Click here for additional data file.</p>
</caption>
</media>
<p>Structure factors: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536813012981/sj5322Isup2.hkl">10.1107/S1600536813012981/sj5322Isup2.hkl</ext-link>
</p>
<media xlink:href="e-69-0m335-Isup2.hkl" xlink:type="simple" id="d35e230" position="anchor" mimetype="text" mime-subtype="plain"></media>
</supplementary-material>
<supplementary-material content-type="local-data"><p>Additional supplementary materials: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsupfiles?sj5322&file=sj5322sup0.html&mime=text/html"> crystallographic information</ext-link>
; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?sj5322sup1&Qmime=cif">3D view</ext-link>
; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?sj5322&checkcif=yes">checkCIF report</ext-link>
</p>
</supplementary-material>
</sec>
</body>
<back><fn-group><fn id="fnu1"><p>Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsup?sj5322">SJ5322</ext-link>
).</p>
</fn>
</fn-group>
<ack><p>We are grateful for financial assistance from the DG–RSDT and ANDRU (Diretion Générale de la Recherche Scientifique et du Développement Technologique et l<sup>’</sup>
Agence Nationale pour le Développement de la Recherche Universitaire, Algéria) through the PNR project.</p>
</ack>
<app-group><app><title>supplementary crystallographic 
information</title>
<sec id="comment"><title>Comment </title>
<p>Dicarboxylates have been widely used as ligands in metal coordination chemistry
because they possess interesting features, such as: (i) the presence of two
carboxylato groups capable of bidentate and monodentate linking modes, (ii)
the possibility of obtaining mono- or dianionic forms, (iii) the probability of
triply coordinated oxygen atoms and (iv) the possibility of forming secondary
building blocks (Rao <italic>et al.</italic>, 2004). Their use as bridging
ligands has
generated metal-organic coordination polymers with diverse and interesting
structural features (Setifi <italic>et al.</italic>, 2006, 2007; Wen
<italic>et al.</italic>,
2010). Given the rich coordination chemistry and the flexibility of
these
anionic ligands, we are interested in using them in combination with other
chelating co-ligands to explore their structural features and properties in
the large field of molecular materials. This led us to the synthesis of the
parent coordination compound, the title complex [Co(dpa)(adip)(H<sub>2</sub>
O)<sub>2</sub>].
3H<sub>2</sub>O, (where dpa is 2,2'-dipyridylamine and adip is the adipate dianion),
and the structure is described herein.</p>
<p>In this monomeric complex, the distorted octahedral MN<sub>2</sub>
O<sub>4</sub> coordination
sphere comprises two N-donors from the bidentate chelate dpa ligand, two
carboxyl O-donors (O1, O2) from one of the carboxyl groups of the adipate
ligand and two water molecules (O5, O6). In addition, there are three water
molecules of solvation (O7–O9) (Fig. 1). The (N,<italic>N</italic>') interaction is
essentially symmetric [Co—N, 2.0596 (10), 2.0781 (9) Å] (Table 1) but the
(O,<italic>O</italic>') interaction is asymmetric [Co—O, 2.0680 (10), 2.3079 (9) Å],
with a 'bite' angle of 59.68 (3)°. The second adipate carboxyl group is not
involved in coordination.</p>
<p>In the crystal, both the coordinated water molecules and the solvent water
molecules are involved in both intra- and inter-unit O—H···O
hydrogen-bonding interactions. The amine N-atom of the dpa ligand is also
hydrogen-bonded to a water molecule (O9) (Table 2), giving an overall
three-dimensional framework structure (Fig. 2).</p>
</sec>
<sec id="experimental"><title>Experimental </title>
<p>All reagents were purchased from commercial sources and used as received. Under
aerobic conditions, an ethanolic solution of 2,2'-dipyridylamine (0.017 g, 5 ml) was added, with stirring at room temperature to an ethanolic solution of
CoCl<sub>2</sub>
.6H<sub>2</sub>O (0.024 g, 5 ml), resulting in a pink suspension. Adipic acid
was dissolved in water (0.015 g, 10 ml) and added quickly to the mixture. The
final solution was filtered and the filtrate allowed to evaporate in air for
two weeks, giving brown crystals of the title compound suitable for X-ray
diffraction analysis.</p>
</sec>
<sec id="refinement"><title>Refinement </title>
<p>All H-atoms potentially involved in hydrogen-bonding were located from a
difference-Fourier and both positional and isotropic displacement parameters
were refined. Other H-atoms were placed in calculated positions with
C—H(aromatic) = 0.93 Å or <italic>C</italic>
—<italic>H</italic>(methylene) = 0.97 Å and
with <italic>U</italic>
<sub>iso</sub>
(H) = 1.2<italic>U</italic>
<sub>eq</sub>(C). Several reflections (8),
considered to be affected by beam stop interference were omitted from the
refinement.</p>
</sec>
<sec id="figures"><title>Figures</title>
<fig id="Fap1"><label>Fig. 1.</label>
<caption><p>A view of the title compound with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 50% probability level.</p>
</caption>
<graphic xlink:href="e-69-0m335-fig1"></graphic>
</fig>
<fig id="Fap2"><label>Fig. 2.</label>
<caption><p>The crystal packing of the title compound in the unit cell viewed down a, showing hydrogen bonds as dashed lines. Non-associative H-atoms are omitted.</p>
</caption>
<graphic xlink:href="e-69-0m335-fig2"></graphic>
</fig>
</sec>
<sec id="tablewrapcrystaldatalong"><title>Crystal data</title>
<table-wrap position="anchor" id="d1e156"><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">[Co(C<sub>6</sub>
H<sub>8</sub>
O<sub>4</sub>
)(C<sub>10</sub>
H<sub>9</sub>
N<sub>3</sub>
)(H<sub>2</sub>
O)<sub>2</sub>
]·3H<sub>2</sub>
O</td>
<td rowspan="1" colspan="1"><italic>Z</italic>
 = 2</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>M</italic>
<italic><sub>r</sub>
</italic>
 = 464.34</td>
<td rowspan="1" colspan="1"><italic>F</italic>
(000) = 486</td>
</tr>
<tr><td rowspan="1" colspan="1">Triclinic, <italic>P</italic>
1</td>
<td rowspan="1" colspan="1"><italic>D</italic>
<sub>x</sub>
 = 1.516 Mg m<sup>−</sup>
<sup>3</sup>
</td>
</tr>
<tr><td rowspan="1" colspan="1">Hall symbol: -P 1</td>
<td rowspan="1" colspan="1">Mo <italic>K</italic>
α radiation, λ = 0.71073 Å</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>a</italic>
 = 9.9587 (3) Å</td>
<td rowspan="1" colspan="1">Cell parameters from 9938 reflections</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>b</italic>
 = 10.5458 (3) Å</td>
<td rowspan="1" colspan="1">θ = 2.5–33.9°</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>c</italic>
 = 11.0885 (3) Å</td>
<td rowspan="1" colspan="1">µ = 0.90 mm<sup>−</sup>
<sup>1</sup>
</td>
</tr>
<tr><td rowspan="1" colspan="1">α = 100.887 (1)°</td>
<td rowspan="1" colspan="1"><italic>T</italic>
 = 296 K</td>
</tr>
<tr><td rowspan="1" colspan="1">β = 105.891 (1)°</td>
<td rowspan="1" colspan="1">Prism, brown</td>
</tr>
<tr><td rowspan="1" colspan="1">γ = 107.889 (1)°</td>
<td rowspan="1" colspan="1">0.26 × 0.21 × 0.18 mm</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>V</italic>
 = 1017.38 (5) Å<sup>3</sup>
</td>
<td rowspan="1" colspan="1"></td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewrapdatacollectionlong"><title>Data collection</title>
<table-wrap position="anchor" id="d1e309"><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 APEXII CCD diffractometer</td>
<td rowspan="1" colspan="1">8197 independent reflections</td>
</tr>
<tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td>
<td rowspan="1" colspan="1">6984 reflections with <italic>I</italic>
 > 2σ(<italic>I</italic>
)</td>
</tr>
<tr><td rowspan="1" colspan="1">Graphite monochromator</td>
<td rowspan="1" colspan="1"><italic>R</italic>
<sub>int</sub>
 = 0.024</td>
</tr>
<tr><td rowspan="1" colspan="1">φ and ω scans</td>
<td rowspan="1" colspan="1">θ<sub>max</sub>
 = 33.9°, θ<sub>min</sub>
 = 3.3°</td>
</tr>
<tr><td rowspan="1" colspan="1">Absorption correction: multi-scan (<italic>SADABS</italic>
; Bruker, 2008)</td>
<td rowspan="1" colspan="1"><italic>h</italic>
 = −15→15</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>T</italic>
<sub>min</sub>
 = 0.800, <italic>T</italic>
<sub>max</sub>
 = 0.855</td>
<td rowspan="1" colspan="1"><italic>k</italic>
 = −16→16</td>
</tr>
<tr><td rowspan="1" colspan="1">28998 measured reflections</td>
<td rowspan="1" colspan="1"><italic>l</italic>
 = −17→17</td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewraprefinementdatalong"><title>Refinement</title>
<table-wrap position="anchor" id="d1e426"><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>
)] = 0.030</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>
) = 0.097</td>
<td rowspan="1" colspan="1">H atoms treated by a mixture of independent and constrained refinement</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>S</italic>
 = 0.99</td>
<td rowspan="1" colspan="1"><italic>w</italic>
 = 1/[σ<sup>2</sup>
(<italic>F</italic>
<sub>o</sub>
<sup>2</sup>
) + (0.0677<italic>P</italic>
)<sup>2</sup>
 + 0.048<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">8197 reflections</td>
<td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub>
 = 0.001</td>
</tr>
<tr><td rowspan="1" colspan="1">306 parameters</td>
<td rowspan="1" colspan="1">Δρ<sub>max</sub>
 = 0.37 e Å<sup>−</sup>
<sup>3</sup>
</td>
</tr>
<tr><td rowspan="1" colspan="1">1 restraint</td>
<td rowspan="1" colspan="1">Δρ<sub>min</sub>
 = −0.34 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="d1e583"><table rules="all" frame="box" style="table-layout:fixed"><tr><td rowspan="1" colspan="1">Geometry. Bond distances, angles <italic>etc</italic>. have been calculated using the rounded
fractional coordinates. All su's are estimated from the variances of the
(full) variance-covariance matrix. The cell e.s.d.'s are taken into account in
the estimation of distances, angles and torsion angles</td>
</tr>
<tr><td rowspan="1" colspan="1">Refinement. Refinement of <italic>F</italic>
<sup>2</sup>
 against ALL reflections. The weighted <italic>R</italic>-factor
<italic>wR</italic>
 and goodness of fit <italic>S</italic>
 are based on <italic>F</italic>
<sup>2</sup>, conventional
<italic>R</italic>
-factors <italic>R</italic>
 are based on <italic>F</italic>
, with <italic>F</italic> set to zero for
negative <italic>F</italic>
<sup>2</sup>
. The threshold expression of <italic>F</italic>
<sup>2</sup> >
2σ(<italic>F</italic>
<sup>2</sup>
) is used only for calculating <italic>R</italic>
-factors(gt) <italic>etc</italic>.
and is not relevant to the choice of reflections for refinement.
<italic>R</italic>
-factors based on <italic>F</italic>
<sup>2</sup> are statistically about twice as large
as those based on <italic>F</italic>
, and <italic>R</italic>- factors based on ALL data will be
even larger.</td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewrapcoords"><title>Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å<sup>2</sup>
)</title>
<table-wrap position="anchor" id="d1e685"><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">Co1</td>
<td rowspan="1" colspan="1">0.87882 (1)</td>
<td rowspan="1" colspan="1">0.40987 (1)</td>
<td rowspan="1" colspan="1">0.21923 (1)</td>
<td rowspan="1" colspan="1">0.0256 (1)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O1</td>
<td rowspan="1" colspan="1">1.05309 (9)</td>
<td rowspan="1" colspan="1">0.59199 (9)</td>
<td rowspan="1" colspan="1">0.24329 (8)</td>
<td rowspan="1" colspan="1">0.0346 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O2</td>
<td rowspan="1" colspan="1">1.10712 (9)</td>
<td rowspan="1" colspan="1">0.48396 (9)</td>
<td rowspan="1" colspan="1">0.38874 (8)</td>
<td rowspan="1" colspan="1">0.0334 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O3</td>
<td rowspan="1" colspan="1">1.92943 (11)</td>
<td rowspan="1" colspan="1">0.90473 (12)</td>
<td rowspan="1" colspan="1">0.80972 (9)</td>
<td rowspan="1" colspan="1">0.0509 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O4</td>
<td rowspan="1" colspan="1">1.88720 (12)</td>
<td rowspan="1" colspan="1">0.95610 (12)</td>
<td rowspan="1" colspan="1">0.62266 (12)</td>
<td rowspan="1" colspan="1">0.0579 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O5</td>
<td rowspan="1" colspan="1">0.97049 (11)</td>
<td rowspan="1" colspan="1">0.29574 (11)</td>
<td rowspan="1" colspan="1">0.11448 (10)</td>
<td rowspan="1" colspan="1">0.0401 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O6</td>
<td rowspan="1" colspan="1">0.80952 (9)</td>
<td rowspan="1" colspan="1">0.52897 (9)</td>
<td rowspan="1" colspan="1">0.35009 (8)</td>
<td rowspan="1" colspan="1">0.0318 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N1</td>
<td rowspan="1" colspan="1">0.71591 (9)</td>
<td rowspan="1" colspan="1">0.40327 (9)</td>
<td rowspan="1" colspan="1">0.05172 (8)</td>
<td rowspan="1" colspan="1">0.0259 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N2</td>
<td rowspan="1" colspan="1">0.73045 (10)</td>
<td rowspan="1" colspan="1">0.22973 (9)</td>
<td rowspan="1" colspan="1">0.22883 (9)</td>
<td rowspan="1" colspan="1">0.0289 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N3</td>
<td rowspan="1" colspan="1">0.51381 (10)</td>
<td rowspan="1" colspan="1">0.22666 (11)</td>
<td rowspan="1" colspan="1">0.06928 (10)</td>
<td rowspan="1" colspan="1">0.0338 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C1</td>
<td rowspan="1" colspan="1">1.14696 (10)</td>
<td rowspan="1" colspan="1">0.58243 (11)</td>
<td rowspan="1" colspan="1">0.34175 (9)</td>
<td rowspan="1" colspan="1">0.0274 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C2</td>
<td rowspan="1" colspan="1">1.30419 (11)</td>
<td rowspan="1" colspan="1">0.69271 (12)</td>
<td rowspan="1" colspan="1">0.39566 (11)</td>
<td rowspan="1" colspan="1">0.0329 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C3</td>
<td rowspan="1" colspan="1">1.42382 (11)</td>
<td rowspan="1" colspan="1">0.66497 (12)</td>
<td rowspan="1" colspan="1">0.49212 (11)</td>
<td rowspan="1" colspan="1">0.0347 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C4</td>
<td rowspan="1" colspan="1">1.57881 (11)</td>
<td rowspan="1" colspan="1">0.77823 (11)</td>
<td rowspan="1" colspan="1">0.53102 (11)</td>
<td rowspan="1" colspan="1">0.0315 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C5</td>
<td rowspan="1" colspan="1">1.69945 (12)</td>
<td rowspan="1" colspan="1">0.76076 (12)</td>
<td rowspan="1" colspan="1">0.63591 (12)</td>
<td rowspan="1" colspan="1">0.0365 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C6</td>
<td rowspan="1" colspan="1">1.84988 (11)</td>
<td rowspan="1" colspan="1">0.88359 (11)</td>
<td rowspan="1" colspan="1">0.69272 (11)</td>
<td rowspan="1" colspan="1">0.0305 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C7</td>
<td rowspan="1" colspan="1">0.76159 (12)</td>
<td rowspan="1" colspan="1">0.49385 (12)</td>
<td rowspan="1" colspan="1">−0.01408 (11)</td>
<td rowspan="1" colspan="1">0.0332 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C8</td>
<td rowspan="1" colspan="1">0.66587 (14)</td>
<td rowspan="1" colspan="1">0.50906 (13)</td>
<td rowspan="1" colspan="1">−0.12028 (11)</td>
<td rowspan="1" colspan="1">0.0374 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C9</td>
<td rowspan="1" colspan="1">0.51360 (13)</td>
<td rowspan="1" colspan="1">0.42605 (14)</td>
<td rowspan="1" colspan="1">−0.16405 (10)</td>
<td rowspan="1" colspan="1">0.0367 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C10</td>
<td rowspan="1" colspan="1">0.46425 (12)</td>
<td rowspan="1" colspan="1">0.33147 (12)</td>
<td rowspan="1" colspan="1">−0.10088 (10)</td>
<td rowspan="1" colspan="1">0.0329 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C11</td>
<td rowspan="1" colspan="1">0.58275 (11)</td>
<td rowspan="1" colspan="1">0.17043 (10)</td>
<td rowspan="1" colspan="1">0.15844 (10)</td>
<td rowspan="1" colspan="1">0.0274 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C12</td>
<td rowspan="1" colspan="1">0.56943 (10)</td>
<td rowspan="1" colspan="1">0.32248 (10)</td>
<td rowspan="1" colspan="1">0.00812 (9)</td>
<td rowspan="1" colspan="1">0.0255 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C13</td>
<td rowspan="1" colspan="1">0.78977 (14)</td>
<td rowspan="1" colspan="1">0.16797 (14)</td>
<td rowspan="1" colspan="1">0.31479 (14)</td>
<td rowspan="1" colspan="1">0.0401 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C14</td>
<td rowspan="1" colspan="1">0.70567 (18)</td>
<td rowspan="1" colspan="1">0.05002 (16)</td>
<td rowspan="1" colspan="1">0.33525 (17)</td>
<td rowspan="1" colspan="1">0.0495 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C15</td>
<td rowspan="1" colspan="1">0.55197 (17)</td>
<td rowspan="1" colspan="1">−0.01009 (13)</td>
<td rowspan="1" colspan="1">0.26316 (16)</td>
<td rowspan="1" colspan="1">0.0469 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C16</td>
<td rowspan="1" colspan="1">0.48925 (14)</td>
<td rowspan="1" colspan="1">0.04862 (12)</td>
<td rowspan="1" colspan="1">0.17371 (13)</td>
<td rowspan="1" colspan="1">0.0387 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O7</td>
<td rowspan="1" colspan="1">1.14682 (14)</td>
<td rowspan="1" colspan="1">0.81433 (12)</td>
<td rowspan="1" colspan="1">0.14879 (11)</td>
<td rowspan="1" colspan="1">0.0492 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O8</td>
<td rowspan="1" colspan="1">0.88888 (16)</td>
<td rowspan="1" colspan="1">0.80611 (12)</td>
<td rowspan="1" colspan="1">0.38293 (15)</td>
<td rowspan="1" colspan="1">0.0613 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O9</td>
<td rowspan="1" colspan="1">0.80392 (11)</td>
<td rowspan="1" colspan="1">0.89324 (14)</td>
<td rowspan="1" colspan="1">0.01315 (13)</td>
<td rowspan="1" colspan="1">0.0604 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H2A</td>
<td rowspan="1" colspan="1">1.29990</td>
<td rowspan="1" colspan="1">0.77980</td>
<td rowspan="1" colspan="1">0.43830</td>
<td rowspan="1" colspan="1">0.0390*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H2B</td>
<td rowspan="1" colspan="1">1.33620</td>
<td rowspan="1" colspan="1">0.70600</td>
<td rowspan="1" colspan="1">0.32230</td>
<td rowspan="1" colspan="1">0.0390*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H3</td>
<td rowspan="1" colspan="1">0.426 (2)</td>
<td rowspan="1" colspan="1">0.1928 (19)</td>
<td rowspan="1" colspan="1">0.0392 (18)</td>
<td rowspan="1" colspan="1">0.050 (5)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H3A</td>
<td rowspan="1" colspan="1">1.42590</td>
<td rowspan="1" colspan="1">0.57550</td>
<td rowspan="1" colspan="1">0.45290</td>
<td rowspan="1" colspan="1">0.0420*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H3B</td>
<td rowspan="1" colspan="1">1.39850</td>
<td rowspan="1" colspan="1">0.66010</td>
<td rowspan="1" colspan="1">0.57000</td>
<td rowspan="1" colspan="1">0.0420*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H4A</td>
<td rowspan="1" colspan="1">1.60690</td>
<td rowspan="1" colspan="1">0.77760</td>
<td rowspan="1" colspan="1">0.45390</td>
<td rowspan="1" colspan="1">0.0380*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H4B</td>
<td rowspan="1" colspan="1">1.57380</td>
<td rowspan="1" colspan="1">0.86830</td>
<td rowspan="1" colspan="1">0.56270</td>
<td rowspan="1" colspan="1">0.0380*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H5A</td>
<td rowspan="1" colspan="1">1.71530</td>
<td rowspan="1" colspan="1">0.67790</td>
<td rowspan="1" colspan="1">0.59900</td>
<td rowspan="1" colspan="1">0.0440*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H5B</td>
<td rowspan="1" colspan="1">1.66320</td>
<td rowspan="1" colspan="1">0.74550</td>
<td rowspan="1" colspan="1">0.70680</td>
<td rowspan="1" colspan="1">0.0440*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H7</td>
<td rowspan="1" colspan="1">0.86380</td>
<td rowspan="1" colspan="1">0.54890</td>
<td rowspan="1" colspan="1">0.01450</td>
<td rowspan="1" colspan="1">0.0400*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H8</td>
<td rowspan="1" colspan="1">0.70200</td>
<td rowspan="1" colspan="1">0.57340</td>
<td rowspan="1" colspan="1">−0.16210</td>
<td rowspan="1" colspan="1">0.0450*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H9</td>
<td rowspan="1" colspan="1">0.44560</td>
<td rowspan="1" colspan="1">0.43450</td>
<td rowspan="1" colspan="1">−0.23560</td>
<td rowspan="1" colspan="1">0.0440*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H10</td>
<td rowspan="1" colspan="1">0.36270</td>
<td rowspan="1" colspan="1">0.27410</td>
<td rowspan="1" colspan="1">−0.12970</td>
<td rowspan="1" colspan="1">0.0400*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H13</td>
<td rowspan="1" colspan="1">0.89300</td>
<td rowspan="1" colspan="1">0.20800</td>
<td rowspan="1" colspan="1">0.36220</td>
<td rowspan="1" colspan="1">0.0480*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H14</td>
<td rowspan="1" colspan="1">0.75020</td>
<td rowspan="1" colspan="1">0.01120</td>
<td rowspan="1" colspan="1">0.39570</td>
<td rowspan="1" colspan="1">0.0590*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H15</td>
<td rowspan="1" colspan="1">0.49160</td>
<td rowspan="1" colspan="1">−0.08990</td>
<td rowspan="1" colspan="1">0.27540</td>
<td rowspan="1" colspan="1">0.0560*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H16</td>
<td rowspan="1" colspan="1">0.38660</td>
<td rowspan="1" colspan="1">0.00850</td>
<td rowspan="1" colspan="1">0.12400</td>
<td rowspan="1" colspan="1">0.0460*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H51</td>
<td rowspan="1" colspan="1">0.932 (2)</td>
<td rowspan="1" colspan="1">0.2581 (19)</td>
<td rowspan="1" colspan="1">0.0397 (19)</td>
<td rowspan="1" colspan="1">0.046 (5)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H52</td>
<td rowspan="1" colspan="1">1.002 (2)</td>
<td rowspan="1" colspan="1">0.242 (2)</td>
<td rowspan="1" colspan="1">0.143 (2)</td>
<td rowspan="1" colspan="1">0.065 (6)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H61</td>
<td rowspan="1" colspan="1">0.836 (3)</td>
<td rowspan="1" colspan="1">0.526 (3)</td>
<td rowspan="1" colspan="1">0.427 (2)</td>
<td rowspan="1" colspan="1">0.083 (7)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H62</td>
<td rowspan="1" colspan="1">0.838 (2)</td>
<td rowspan="1" colspan="1">0.607 (2)</td>
<td rowspan="1" colspan="1">0.3537 (19)</td>
<td rowspan="1" colspan="1">0.057 (5)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H71</td>
<td rowspan="1" colspan="1">1.117 (3)</td>
<td rowspan="1" colspan="1">0.868 (3)</td>
<td rowspan="1" colspan="1">0.168 (3)</td>
<td rowspan="1" colspan="1">0.107 (10)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H72</td>
<td rowspan="1" colspan="1">1.122 (2)</td>
<td rowspan="1" colspan="1">0.745 (2)</td>
<td rowspan="1" colspan="1">0.184 (2)</td>
<td rowspan="1" colspan="1">0.063 (6)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H81</td>
<td rowspan="1" colspan="1">0.958 (3)</td>
<td rowspan="1" colspan="1">0.868 (3)</td>
<td rowspan="1" colspan="1">0.367 (2)</td>
<td rowspan="1" colspan="1">0.075 (6)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H82</td>
<td rowspan="1" colspan="1">0.884 (3)</td>
<td rowspan="1" colspan="1">0.849 (3)</td>
<td rowspan="1" colspan="1">0.447 (3)</td>
<td rowspan="1" colspan="1">0.085 (8)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H91</td>
<td rowspan="1" colspan="1">0.833 (2)</td>
<td rowspan="1" colspan="1">0.880 (2)</td>
<td rowspan="1" colspan="1">−0.044 (2)</td>
<td rowspan="1" colspan="1">0.067 (6)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H92</td>
<td rowspan="1" colspan="1">0.870 (3)</td>
<td rowspan="1" colspan="1">0.949 (3)</td>
<td rowspan="1" colspan="1">0.077 (3)</td>
<td rowspan="1" colspan="1">0.085 (8)*</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="d1e1418"><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">Co1</td>
<td rowspan="1" colspan="1">0.0168 (1)</td>
<td rowspan="1" colspan="1">0.0288 (1)</td>
<td rowspan="1" colspan="1">0.0261 (1)</td>
<td rowspan="1" colspan="1">0.0034 (1)</td>
<td rowspan="1" colspan="1">0.0039 (1)</td>
<td rowspan="1" colspan="1">0.0117 (1)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1</td>
<td rowspan="1" colspan="1">0.0216 (3)</td>
<td rowspan="1" colspan="1">0.0398 (4)</td>
<td rowspan="1" colspan="1">0.0325 (4)</td>
<td rowspan="1" colspan="1">0.0018 (3)</td>
<td rowspan="1" colspan="1">0.0020 (3)</td>
<td rowspan="1" colspan="1">0.0170 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2</td>
<td rowspan="1" colspan="1">0.0243 (3)</td>
<td rowspan="1" colspan="1">0.0370 (4)</td>
<td rowspan="1" colspan="1">0.0328 (3)</td>
<td rowspan="1" colspan="1">0.0047 (3)</td>
<td rowspan="1" colspan="1">0.0054 (3)</td>
<td rowspan="1" colspan="1">0.0156 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">O3</td>
<td rowspan="1" colspan="1">0.0306 (4)</td>
<td rowspan="1" colspan="1">0.0617 (6)</td>
<td rowspan="1" colspan="1">0.0328 (4)</td>
<td rowspan="1" colspan="1">−0.0007 (4)</td>
<td rowspan="1" colspan="1">−0.0034 (3)</td>
<td rowspan="1" colspan="1">0.0056 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">O4</td>
<td rowspan="1" colspan="1">0.0370 (5)</td>
<td rowspan="1" colspan="1">0.0520 (6)</td>
<td rowspan="1" colspan="1">0.0595 (6)</td>
<td rowspan="1" colspan="1">−0.0090 (4)</td>
<td rowspan="1" colspan="1">0.0017 (4)</td>
<td rowspan="1" colspan="1">0.0276 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5</td>
<td rowspan="1" colspan="1">0.0393 (5)</td>
<td rowspan="1" colspan="1">0.0504 (5)</td>
<td rowspan="1" colspan="1">0.0350 (4)</td>
<td rowspan="1" colspan="1">0.0211 (4)</td>
<td rowspan="1" colspan="1">0.0143 (4)</td>
<td rowspan="1" colspan="1">0.0141 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6</td>
<td rowspan="1" colspan="1">0.0328 (4)</td>
<td rowspan="1" colspan="1">0.0307 (4)</td>
<td rowspan="1" colspan="1">0.0303 (4)</td>
<td rowspan="1" colspan="1">0.0101 (3)</td>
<td rowspan="1" colspan="1">0.0098 (3)</td>
<td rowspan="1" colspan="1">0.0113 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1</td>
<td rowspan="1" colspan="1">0.0198 (3)</td>
<td rowspan="1" colspan="1">0.0288 (4)</td>
<td rowspan="1" colspan="1">0.0253 (3)</td>
<td rowspan="1" colspan="1">0.0054 (3)</td>
<td rowspan="1" colspan="1">0.0050 (3)</td>
<td rowspan="1" colspan="1">0.0103 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2</td>
<td rowspan="1" colspan="1">0.0245 (4)</td>
<td rowspan="1" colspan="1">0.0270 (4)</td>
<td rowspan="1" colspan="1">0.0352 (4)</td>
<td rowspan="1" colspan="1">0.0075 (3)</td>
<td rowspan="1" colspan="1">0.0106 (3)</td>
<td rowspan="1" colspan="1">0.0133 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N3</td>
<td rowspan="1" colspan="1">0.0188 (4)</td>
<td rowspan="1" colspan="1">0.0360 (4)</td>
<td rowspan="1" colspan="1">0.0377 (4)</td>
<td rowspan="1" colspan="1">0.0013 (3)</td>
<td rowspan="1" colspan="1">0.0047 (3)</td>
<td rowspan="1" colspan="1">0.0144 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C1</td>
<td rowspan="1" colspan="1">0.0182 (4)</td>
<td rowspan="1" colspan="1">0.0318 (4)</td>
<td rowspan="1" colspan="1">0.0265 (4)</td>
<td rowspan="1" colspan="1">0.0041 (3)</td>
<td rowspan="1" colspan="1">0.0052 (3)</td>
<td rowspan="1" colspan="1">0.0090 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C2</td>
<td rowspan="1" colspan="1">0.0187 (4)</td>
<td rowspan="1" colspan="1">0.0328 (5)</td>
<td rowspan="1" colspan="1">0.0356 (5)</td>
<td rowspan="1" colspan="1">0.0015 (3)</td>
<td rowspan="1" colspan="1">0.0020 (3)</td>
<td rowspan="1" colspan="1">0.0100 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C3</td>
<td rowspan="1" colspan="1">0.0201 (4)</td>
<td rowspan="1" colspan="1">0.0371 (5)</td>
<td rowspan="1" colspan="1">0.0347 (5)</td>
<td rowspan="1" colspan="1">0.0003 (4)</td>
<td rowspan="1" colspan="1">0.0015 (4)</td>
<td rowspan="1" colspan="1">0.0138 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4</td>
<td rowspan="1" colspan="1">0.0194 (4)</td>
<td rowspan="1" colspan="1">0.0324 (5)</td>
<td rowspan="1" colspan="1">0.0322 (4)</td>
<td rowspan="1" colspan="1">0.0017 (3)</td>
<td rowspan="1" colspan="1">0.0021 (3)</td>
<td rowspan="1" colspan="1">0.0109 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C5</td>
<td rowspan="1" colspan="1">0.0228 (4)</td>
<td rowspan="1" colspan="1">0.0311 (5)</td>
<td rowspan="1" colspan="1">0.0409 (5)</td>
<td rowspan="1" colspan="1">0.0000 (4)</td>
<td rowspan="1" colspan="1">−0.0019 (4)</td>
<td rowspan="1" colspan="1">0.0148 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C6</td>
<td rowspan="1" colspan="1">0.0198 (4)</td>
<td rowspan="1" colspan="1">0.0281 (4)</td>
<td rowspan="1" colspan="1">0.0342 (4)</td>
<td rowspan="1" colspan="1">0.0045 (3)</td>
<td rowspan="1" colspan="1">0.0035 (3)</td>
<td rowspan="1" colspan="1">0.0052 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C7</td>
<td rowspan="1" colspan="1">0.0251 (4)</td>
<td rowspan="1" colspan="1">0.0388 (5)</td>
<td rowspan="1" colspan="1">0.0314 (4)</td>
<td rowspan="1" colspan="1">0.0058 (4)</td>
<td rowspan="1" colspan="1">0.0064 (4)</td>
<td rowspan="1" colspan="1">0.0171 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C8</td>
<td rowspan="1" colspan="1">0.0370 (5)</td>
<td rowspan="1" colspan="1">0.0444 (6)</td>
<td rowspan="1" colspan="1">0.0326 (5)</td>
<td rowspan="1" colspan="1">0.0150 (5)</td>
<td rowspan="1" colspan="1">0.0096 (4)</td>
<td rowspan="1" colspan="1">0.0205 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C9</td>
<td rowspan="1" colspan="1">0.0350 (5)</td>
<td rowspan="1" colspan="1">0.0473 (6)</td>
<td rowspan="1" colspan="1">0.0264 (4)</td>
<td rowspan="1" colspan="1">0.0204 (5)</td>
<td rowspan="1" colspan="1">0.0035 (4)</td>
<td rowspan="1" colspan="1">0.0111 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C10</td>
<td rowspan="1" colspan="1">0.0223 (4)</td>
<td rowspan="1" colspan="1">0.0386 (5)</td>
<td rowspan="1" colspan="1">0.0288 (4)</td>
<td rowspan="1" colspan="1">0.0097 (4)</td>
<td rowspan="1" colspan="1">0.0010 (3)</td>
<td rowspan="1" colspan="1">0.0051 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C11</td>
<td rowspan="1" colspan="1">0.0257 (4)</td>
<td rowspan="1" colspan="1">0.0227 (4)</td>
<td rowspan="1" colspan="1">0.0309 (4)</td>
<td rowspan="1" colspan="1">0.0045 (3)</td>
<td rowspan="1" colspan="1">0.0117 (3)</td>
<td rowspan="1" colspan="1">0.0068 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C12</td>
<td rowspan="1" colspan="1">0.0198 (4)</td>
<td rowspan="1" colspan="1">0.0265 (4)</td>
<td rowspan="1" colspan="1">0.0247 (4)</td>
<td rowspan="1" colspan="1">0.0059 (3)</td>
<td rowspan="1" colspan="1">0.0046 (3)</td>
<td rowspan="1" colspan="1">0.0050 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C13</td>
<td rowspan="1" colspan="1">0.0338 (5)</td>
<td rowspan="1" colspan="1">0.0419 (6)</td>
<td rowspan="1" colspan="1">0.0522 (7)</td>
<td rowspan="1" colspan="1">0.0166 (5)</td>
<td rowspan="1" colspan="1">0.0152 (5)</td>
<td rowspan="1" colspan="1">0.0269 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14</td>
<td rowspan="1" colspan="1">0.0541 (8)</td>
<td rowspan="1" colspan="1">0.0447 (7)</td>
<td rowspan="1" colspan="1">0.0679 (9)</td>
<td rowspan="1" colspan="1">0.0250 (6)</td>
<td rowspan="1" colspan="1">0.0285 (7)</td>
<td rowspan="1" colspan="1">0.0362 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">C15</td>
<td rowspan="1" colspan="1">0.0548 (8)</td>
<td rowspan="1" colspan="1">0.0299 (5)</td>
<td rowspan="1" colspan="1">0.0661 (9)</td>
<td rowspan="1" colspan="1">0.0130 (5)</td>
<td rowspan="1" colspan="1">0.0331 (7)</td>
<td rowspan="1" colspan="1">0.0243 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">C16</td>
<td rowspan="1" colspan="1">0.0340 (5)</td>
<td rowspan="1" colspan="1">0.0280 (5)</td>
<td rowspan="1" colspan="1">0.0469 (6)</td>
<td rowspan="1" colspan="1">0.0008 (4)</td>
<td rowspan="1" colspan="1">0.0168 (5)</td>
<td rowspan="1" colspan="1">0.0103 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">O7</td>
<td rowspan="1" colspan="1">0.0603 (7)</td>
<td rowspan="1" colspan="1">0.0403 (5)</td>
<td rowspan="1" colspan="1">0.0440 (5)</td>
<td rowspan="1" colspan="1">0.0140 (5)</td>
<td rowspan="1" colspan="1">0.0175 (5)</td>
<td rowspan="1" colspan="1">0.0159 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">O8</td>
<td rowspan="1" colspan="1">0.0727 (8)</td>
<td rowspan="1" colspan="1">0.0345 (5)</td>
<td rowspan="1" colspan="1">0.0813 (9)</td>
<td rowspan="1" colspan="1">0.0112 (5)</td>
<td rowspan="1" colspan="1">0.0427 (7)</td>
<td rowspan="1" colspan="1">0.0201 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">O9</td>
<td rowspan="1" colspan="1">0.0245 (4)</td>
<td rowspan="1" colspan="1">0.0761 (8)</td>
<td rowspan="1" colspan="1">0.0492 (6)</td>
<td rowspan="1" colspan="1">−0.0076 (5)</td>
<td rowspan="1" colspan="1">0.0069 (4)</td>
<td rowspan="1" colspan="1">0.0033 (5)</td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewrapgeomlong"><title>Geometric parameters (Å, º)</title>
<table-wrap position="anchor" id="d1e1910"><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">Co1—O1</td>
<td rowspan="1" colspan="1">2.0680 (10)</td>
<td rowspan="1" colspan="1">C2—C3</td>
<td rowspan="1" colspan="1">1.5111 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O2</td>
<td rowspan="1" colspan="1">2.3079 (9)</td>
<td rowspan="1" colspan="1">C3—C4</td>
<td rowspan="1" colspan="1">1.5177 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O5</td>
<td rowspan="1" colspan="1">2.0877 (12)</td>
<td rowspan="1" colspan="1">C4—C5</td>
<td rowspan="1" colspan="1">1.5106 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O6</td>
<td rowspan="1" colspan="1">2.1336 (9)</td>
<td rowspan="1" colspan="1">C5—C6</td>
<td rowspan="1" colspan="1">1.5172 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—N1</td>
<td rowspan="1" colspan="1">2.0781 (9)</td>
<td rowspan="1" colspan="1">C7—C8</td>
<td rowspan="1" colspan="1">1.3681 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—N2</td>
<td rowspan="1" colspan="1">2.0596 (10)</td>
<td rowspan="1" colspan="1">C8—C9</td>
<td rowspan="1" colspan="1">1.387 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—C1</td>
<td rowspan="1" colspan="1">1.2715 (13)</td>
<td rowspan="1" colspan="1">C9—C10</td>
<td rowspan="1" colspan="1">1.3705 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—C1</td>
<td rowspan="1" colspan="1">1.2537 (14)</td>
<td rowspan="1" colspan="1">C10—C12</td>
<td rowspan="1" colspan="1">1.4064 (15)</td>
</tr>
<tr><td rowspan="1" colspan="1">O3—C6</td>
<td rowspan="1" colspan="1">1.2569 (15)</td>
<td rowspan="1" colspan="1">C11—C16</td>
<td rowspan="1" colspan="1">1.4070 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">O4—C6</td>
<td rowspan="1" colspan="1">1.2387 (17)</td>
<td rowspan="1" colspan="1">C13—C14</td>
<td rowspan="1" colspan="1">1.368 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—H51</td>
<td rowspan="1" colspan="1">0.775 (19)</td>
<td rowspan="1" colspan="1">C14—C15</td>
<td rowspan="1" colspan="1">1.388 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—H52</td>
<td rowspan="1" colspan="1">0.80 (2)</td>
<td rowspan="1" colspan="1">C15—C16</td>
<td rowspan="1" colspan="1">1.374 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—H62</td>
<td rowspan="1" colspan="1">0.77 (2)</td>
<td rowspan="1" colspan="1">C2—H2A</td>
<td rowspan="1" colspan="1">0.9700</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—H61</td>
<td rowspan="1" colspan="1">0.83 (2)</td>
<td rowspan="1" colspan="1">C2—H2B</td>
<td rowspan="1" colspan="1">0.9700</td>
</tr>
<tr><td rowspan="1" colspan="1">O7—H71</td>
<td rowspan="1" colspan="1">0.74 (3)</td>
<td rowspan="1" colspan="1">C3—H3A</td>
<td rowspan="1" colspan="1">0.9700</td>
</tr>
<tr><td rowspan="1" colspan="1">O7—H72</td>
<td rowspan="1" colspan="1">0.89 (2)</td>
<td rowspan="1" colspan="1">C3—H3B</td>
<td rowspan="1" colspan="1">0.9700</td>
</tr>
<tr><td rowspan="1" colspan="1">O8—H81</td>
<td rowspan="1" colspan="1">0.88 (3)</td>
<td rowspan="1" colspan="1">C4—H4B</td>
<td rowspan="1" colspan="1">0.9700</td>
</tr>
<tr><td rowspan="1" colspan="1">O8—H82</td>
<td rowspan="1" colspan="1">0.79 (3)</td>
<td rowspan="1" colspan="1">C4—H4A</td>
<td rowspan="1" colspan="1">0.9700</td>
</tr>
<tr><td rowspan="1" colspan="1">O9—H92</td>
<td rowspan="1" colspan="1">0.79 (3)</td>
<td rowspan="1" colspan="1">C5—H5A</td>
<td rowspan="1" colspan="1">0.9700</td>
</tr>
<tr><td rowspan="1" colspan="1">O9—H91</td>
<td rowspan="1" colspan="1">0.77 (2)</td>
<td rowspan="1" colspan="1">C5—H5B</td>
<td rowspan="1" colspan="1">0.9700</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C12</td>
<td rowspan="1" colspan="1">1.3350 (14)</td>
<td rowspan="1" colspan="1">C7—H7</td>
<td rowspan="1" colspan="1">0.9300</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C7</td>
<td rowspan="1" colspan="1">1.3527 (15)</td>
<td rowspan="1" colspan="1">C8—H8</td>
<td rowspan="1" colspan="1">0.9300</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—C11</td>
<td rowspan="1" colspan="1">1.3363 (15)</td>
<td rowspan="1" colspan="1">C9—H9</td>
<td rowspan="1" colspan="1">0.9300</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—C13</td>
<td rowspan="1" colspan="1">1.3580 (17)</td>
<td rowspan="1" colspan="1">C10—H10</td>
<td rowspan="1" colspan="1">0.9300</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—C12</td>
<td rowspan="1" colspan="1">1.3815 (15)</td>
<td rowspan="1" colspan="1">C13—H13</td>
<td rowspan="1" colspan="1">0.9300</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—C11</td>
<td rowspan="1" colspan="1">1.3785 (15)</td>
<td rowspan="1" colspan="1">C14—H14</td>
<td rowspan="1" colspan="1">0.9300</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—H3</td>
<td rowspan="1" colspan="1">0.78 (2)</td>
<td rowspan="1" colspan="1">C15—H15</td>
<td rowspan="1" colspan="1">0.9300</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—C2</td>
<td rowspan="1" colspan="1">1.5059 (16)</td>
<td rowspan="1" colspan="1">C16—H16</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">O1—Co1—O2</td>
<td rowspan="1" colspan="1">59.68 (3)</td>
<td rowspan="1" colspan="1">C9—C10—C12</td>
<td rowspan="1" colspan="1">119.02 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—Co1—O5</td>
<td rowspan="1" colspan="1">89.56 (4)</td>
<td rowspan="1" colspan="1">N3—C11—C16</td>
<td rowspan="1" colspan="1">116.66 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—Co1—O6</td>
<td rowspan="1" colspan="1">88.57 (4)</td>
<td rowspan="1" colspan="1">N2—C11—N3</td>
<td rowspan="1" colspan="1">121.87 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—Co1—N1</td>
<td rowspan="1" colspan="1">100.35 (4)</td>
<td rowspan="1" colspan="1">N2—C11—C16</td>
<td rowspan="1" colspan="1">121.46 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—Co1—N2</td>
<td rowspan="1" colspan="1">169.33 (4)</td>
<td rowspan="1" colspan="1">N1—C12—N3</td>
<td rowspan="1" colspan="1">121.29 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—Co1—O5</td>
<td rowspan="1" colspan="1">84.94 (4)</td>
<td rowspan="1" colspan="1">N3—C12—C10</td>
<td rowspan="1" colspan="1">116.80 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—Co1—O6</td>
<td rowspan="1" colspan="1">87.44 (3)</td>
<td rowspan="1" colspan="1">N1—C12—C10</td>
<td rowspan="1" colspan="1">121.92 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—Co1—N1</td>
<td rowspan="1" colspan="1">159.98 (4)</td>
<td rowspan="1" colspan="1">N2—C13—C14</td>
<td rowspan="1" colspan="1">123.44 (14)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—Co1—N2</td>
<td rowspan="1" colspan="1">109.79 (4)</td>
<td rowspan="1" colspan="1">C13—C14—C15</td>
<td rowspan="1" colspan="1">118.04 (15)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—Co1—O6</td>
<td rowspan="1" colspan="1">172.04 (4)</td>
<td rowspan="1" colspan="1">C14—C15—C16</td>
<td rowspan="1" colspan="1">119.82 (14)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—Co1—N1</td>
<td rowspan="1" colspan="1">94.09 (4)</td>
<td rowspan="1" colspan="1">C11—C16—C15</td>
<td rowspan="1" colspan="1">118.94 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—Co1—N2</td>
<td rowspan="1" colspan="1">91.18 (4)</td>
<td rowspan="1" colspan="1">C1—C2—H2B</td>
<td rowspan="1" colspan="1">108.00</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—Co1—N1</td>
<td rowspan="1" colspan="1">93.86 (4)</td>
<td rowspan="1" colspan="1">H2A—C2—H2B</td>
<td rowspan="1" colspan="1">107.00</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—Co1—N2</td>
<td rowspan="1" colspan="1">89.24 (4)</td>
<td rowspan="1" colspan="1">C3—C2—H2A</td>
<td rowspan="1" colspan="1">108.00</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—Co1—N2</td>
<td rowspan="1" colspan="1">90.21 (4)</td>
<td rowspan="1" colspan="1">C3—C2—H2B</td>
<td rowspan="1" colspan="1">108.00</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O1—C1</td>
<td rowspan="1" colspan="1">95.33 (7)</td>
<td rowspan="1" colspan="1">C1—C2—H2A</td>
<td rowspan="1" colspan="1">108.00</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O2—C1</td>
<td rowspan="1" colspan="1">84.88 (6)</td>
<td rowspan="1" colspan="1">C4—C3—H3B</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O5—H51</td>
<td rowspan="1" colspan="1">122.6 (16)</td>
<td rowspan="1" colspan="1">H3A—C3—H3B</td>
<td rowspan="1" colspan="1">108.00</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O5—H52</td>
<td rowspan="1" colspan="1">120.3 (15)</td>
<td rowspan="1" colspan="1">C4—C3—H3A</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">H51—O5—H52</td>
<td rowspan="1" colspan="1">104 (2)</td>
<td rowspan="1" colspan="1">C2—C3—H3A</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O6—H61</td>
<td rowspan="1" colspan="1">116 (2)</td>
<td rowspan="1" colspan="1">C2—C3—H3B</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O6—H62</td>
<td rowspan="1" colspan="1">112.1 (15)</td>
<td rowspan="1" colspan="1">C3—C4—H4A</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">H61—O6—H62</td>
<td rowspan="1" colspan="1">107 (3)</td>
<td rowspan="1" colspan="1">C3—C4—H4B</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">H71—O7—H72</td>
<td rowspan="1" colspan="1">112 (3)</td>
<td rowspan="1" colspan="1">C5—C4—H4A</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">H81—O8—H82</td>
<td rowspan="1" colspan="1">103 (3)</td>
<td rowspan="1" colspan="1">C5—C4—H4B</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">H91—O9—H92</td>
<td rowspan="1" colspan="1">111 (3)</td>
<td rowspan="1" colspan="1">H4A—C4—H4B</td>
<td rowspan="1" colspan="1">108.00</td>
</tr>
<tr><td rowspan="1" colspan="1">C7—N1—C12</td>
<td rowspan="1" colspan="1">117.69 (9)</td>
<td rowspan="1" colspan="1">C6—C5—H5A</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—N1—C12</td>
<td rowspan="1" colspan="1">125.38 (7)</td>
<td rowspan="1" colspan="1">H5A—C5—H5B</td>
<td rowspan="1" colspan="1">108.00</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—N1—C7</td>
<td rowspan="1" colspan="1">116.84 (8)</td>
<td rowspan="1" colspan="1">C4—C5—H5B</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—N2—C13</td>
<td rowspan="1" colspan="1">116.29 (9)</td>
<td rowspan="1" colspan="1">C6—C5—H5B</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—N2—C13</td>
<td rowspan="1" colspan="1">118.28 (10)</td>
<td rowspan="1" colspan="1">C4—C5—H5A</td>
<td rowspan="1" colspan="1">109.00</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—N2—C11</td>
<td rowspan="1" colspan="1">125.44 (7)</td>
<td rowspan="1" colspan="1">N1—C7—H7</td>
<td rowspan="1" colspan="1">118.00</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—N3—C12</td>
<td rowspan="1" colspan="1">132.59 (11)</td>
<td rowspan="1" colspan="1">C8—C7—H7</td>
<td rowspan="1" colspan="1">118.00</td>
</tr>
<tr><td rowspan="1" colspan="1">C12—N3—H3</td>
<td rowspan="1" colspan="1">110.7 (14)</td>
<td rowspan="1" colspan="1">C9—C8—H8</td>
<td rowspan="1" colspan="1">121.00</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—N3—H3</td>
<td rowspan="1" colspan="1">116.2 (14)</td>
<td rowspan="1" colspan="1">C7—C8—H8</td>
<td rowspan="1" colspan="1">121.00</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—C1—C2</td>
<td rowspan="1" colspan="1">116.83 (10)</td>
<td rowspan="1" colspan="1">C10—C9—H9</td>
<td rowspan="1" colspan="1">120.00</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—C1—C2</td>
<td rowspan="1" colspan="1">123.13 (10)</td>
<td rowspan="1" colspan="1">C8—C9—H9</td>
<td rowspan="1" colspan="1">120.00</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—C1—O2</td>
<td rowspan="1" colspan="1">120.04 (10)</td>
<td rowspan="1" colspan="1">C9—C10—H10</td>
<td rowspan="1" colspan="1">120.00</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—C2—C3</td>
<td rowspan="1" colspan="1">116.75 (10)</td>
<td rowspan="1" colspan="1">C12—C10—H10</td>
<td rowspan="1" colspan="1">121.00</td>
</tr>
<tr><td rowspan="1" colspan="1">C2—C3—C4</td>
<td rowspan="1" colspan="1">111.55 (10)</td>
<td rowspan="1" colspan="1">N2—C13—H13</td>
<td rowspan="1" colspan="1">118.00</td>
</tr>
<tr><td rowspan="1" colspan="1">C3—C4—C5</td>
<td rowspan="1" colspan="1">113.16 (10)</td>
<td rowspan="1" colspan="1">C14—C13—H13</td>
<td rowspan="1" colspan="1">118.00</td>
</tr>
<tr><td rowspan="1" colspan="1">C4—C5—C6</td>
<td rowspan="1" colspan="1">114.59 (10)</td>
<td rowspan="1" colspan="1">C15—C14—H14</td>
<td rowspan="1" colspan="1">121.00</td>
</tr>
<tr><td rowspan="1" colspan="1">O4—C6—C5</td>
<td rowspan="1" colspan="1">119.03 (11)</td>
<td rowspan="1" colspan="1">C13—C14—H14</td>
<td rowspan="1" colspan="1">121.00</td>
</tr>
<tr><td rowspan="1" colspan="1">O3—C6—O4</td>
<td rowspan="1" colspan="1">124.09 (12)</td>
<td rowspan="1" colspan="1">C14—C15—H15</td>
<td rowspan="1" colspan="1">120.00</td>
</tr>
<tr><td rowspan="1" colspan="1">O3—C6—C5</td>
<td rowspan="1" colspan="1">116.88 (11)</td>
<td rowspan="1" colspan="1">C16—C15—H15</td>
<td rowspan="1" colspan="1">120.00</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C7—C8</td>
<td rowspan="1" colspan="1">123.70 (12)</td>
<td rowspan="1" colspan="1">C11—C16—H16</td>
<td rowspan="1" colspan="1">120.00</td>
</tr>
<tr><td rowspan="1" colspan="1">C7—C8—C9</td>
<td rowspan="1" colspan="1">118.30 (12)</td>
<td rowspan="1" colspan="1">C15—C16—H16</td>
<td rowspan="1" colspan="1">121.00</td>
</tr>
<tr><td rowspan="1" colspan="1">C8—C9—C10</td>
<td rowspan="1" colspan="1">119.36 (11)</td>
<td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O2—Co1—O1—C1</td>
<td rowspan="1" colspan="1">1.54 (6)</td>
<td rowspan="1" colspan="1">C12—N1—C7—C8</td>
<td rowspan="1" colspan="1">1.49 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—Co1—O1—C1</td>
<td rowspan="1" colspan="1">−82.85 (7)</td>
<td rowspan="1" colspan="1">Co1—N1—C12—N3</td>
<td rowspan="1" colspan="1">−4.11 (15)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—Co1—O1—C1</td>
<td rowspan="1" colspan="1">89.41 (7)</td>
<td rowspan="1" colspan="1">Co1—N1—C12—C10</td>
<td rowspan="1" colspan="1">175.23 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—Co1—O1—C1</td>
<td rowspan="1" colspan="1">−176.92 (7)</td>
<td rowspan="1" colspan="1">C7—N1—C12—N3</td>
<td rowspan="1" colspan="1">179.59 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—Co1—O2—C1</td>
<td rowspan="1" colspan="1">−1.56 (6)</td>
<td rowspan="1" colspan="1">C7—N1—C12—C10</td>
<td rowspan="1" colspan="1">−1.07 (16)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—Co1—O2—C1</td>
<td rowspan="1" colspan="1">90.90 (7)</td>
<td rowspan="1" colspan="1">Co1—N2—C11—N3</td>
<td rowspan="1" colspan="1">0.16 (15)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—Co1—O2—C1</td>
<td rowspan="1" colspan="1">−91.40 (7)</td>
<td rowspan="1" colspan="1">Co1—N2—C11—C16</td>
<td rowspan="1" colspan="1">−178.58 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—Co1—O2—C1</td>
<td rowspan="1" colspan="1">2.85 (14)</td>
<td rowspan="1" colspan="1">C13—N2—C11—N3</td>
<td rowspan="1" colspan="1">179.90 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—Co1—O2—C1</td>
<td rowspan="1" colspan="1">−179.67 (7)</td>
<td rowspan="1" colspan="1">C13—N2—C11—C16</td>
<td rowspan="1" colspan="1">1.16 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—Co1—N1—C7</td>
<td rowspan="1" colspan="1">11.20 (9)</td>
<td rowspan="1" colspan="1">Co1—N2—C13—C14</td>
<td rowspan="1" colspan="1">178.23 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—Co1—N1—C12</td>
<td rowspan="1" colspan="1">−165.14 (9)</td>
<td rowspan="1" colspan="1">C11—N2—C13—C14</td>
<td rowspan="1" colspan="1">−1.5 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—Co1—N1—C7</td>
<td rowspan="1" colspan="1">7.33 (16)</td>
<td rowspan="1" colspan="1">C12—N3—C11—N2</td>
<td rowspan="1" colspan="1">17.69 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—Co1—N1—C12</td>
<td rowspan="1" colspan="1">−169.01 (9)</td>
<td rowspan="1" colspan="1">C12—N3—C11—C16</td>
<td rowspan="1" colspan="1">−163.51 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—Co1—N1—C7</td>
<td rowspan="1" colspan="1">−79.11 (9)</td>
<td rowspan="1" colspan="1">C11—N3—C12—N1</td>
<td rowspan="1" colspan="1">−15.42 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—Co1—N1—C12</td>
<td rowspan="1" colspan="1">104.56 (9)</td>
<td rowspan="1" colspan="1">C11—N3—C12—C10</td>
<td rowspan="1" colspan="1">165.21 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—Co1—N1—C7</td>
<td rowspan="1" colspan="1">100.44 (9)</td>
<td rowspan="1" colspan="1">O1—C1—C2—C3</td>
<td rowspan="1" colspan="1">−167.09 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—Co1—N1—C12</td>
<td rowspan="1" colspan="1">−75.89 (9)</td>
<td rowspan="1" colspan="1">O2—C1—C2—C3</td>
<td rowspan="1" colspan="1">12.39 (16)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—Co1—N1—C7</td>
<td rowspan="1" colspan="1">−170.31 (9)</td>
<td rowspan="1" colspan="1">C1—C2—C3—C4</td>
<td rowspan="1" colspan="1">175.72 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—Co1—N1—C12</td>
<td rowspan="1" colspan="1">13.36 (9)</td>
<td rowspan="1" colspan="1">C2—C3—C4—C5</td>
<td rowspan="1" colspan="1">175.19 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—Co1—N2—C11</td>
<td rowspan="1" colspan="1">169.49 (9)</td>
<td rowspan="1" colspan="1">C3—C4—C5—C6</td>
<td rowspan="1" colspan="1">−170.72 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—Co1—N2—C13</td>
<td rowspan="1" colspan="1">−10.25 (10)</td>
<td rowspan="1" colspan="1">C4—C5—C6—O3</td>
<td rowspan="1" colspan="1">150.64 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—Co1—N2—C11</td>
<td rowspan="1" colspan="1">−105.46 (10)</td>
<td rowspan="1" colspan="1">C4—C5—C6—O4</td>
<td rowspan="1" colspan="1">−29.52 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—Co1—N2—C13</td>
<td rowspan="1" colspan="1">74.80 (10)</td>
<td rowspan="1" colspan="1">N1—C7—C8—C9</td>
<td rowspan="1" colspan="1">−0.72 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—Co1—N2—C11</td>
<td rowspan="1" colspan="1">82.49 (9)</td>
<td rowspan="1" colspan="1">C7—C8—C9—C10</td>
<td rowspan="1" colspan="1">−0.50 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—Co1—N2—C13</td>
<td rowspan="1" colspan="1">−97.25 (9)</td>
<td rowspan="1" colspan="1">C8—C9—C10—C12</td>
<td rowspan="1" colspan="1">0.87 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—Co1—N2—C11</td>
<td rowspan="1" colspan="1">−11.37 (9)</td>
<td rowspan="1" colspan="1">C9—C10—C12—N1</td>
<td rowspan="1" colspan="1">−0.08 (16)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—Co1—N2—C13</td>
<td rowspan="1" colspan="1">168.89 (9)</td>
<td rowspan="1" colspan="1">C9—C10—C12—N3</td>
<td rowspan="1" colspan="1">179.29 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O1—C1—O2</td>
<td rowspan="1" colspan="1">−2.83 (11)</td>
<td rowspan="1" colspan="1">N2—C11—C16—C15</td>
<td rowspan="1" colspan="1">0.00 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O1—C1—C2</td>
<td rowspan="1" colspan="1">176.67 (8)</td>
<td rowspan="1" colspan="1">N3—C11—C16—C15</td>
<td rowspan="1" colspan="1">−178.80 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O2—C1—O1</td>
<td rowspan="1" colspan="1">2.54 (10)</td>
<td rowspan="1" colspan="1">N2—C13—C14—C15</td>
<td rowspan="1" colspan="1">0.7 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—O2—C1—C2</td>
<td rowspan="1" colspan="1">−176.93 (10)</td>
<td rowspan="1" colspan="1">C13—C14—C15—C16</td>
<td rowspan="1" colspan="1">0.5 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">Co1—N1—C7—C8</td>
<td rowspan="1" colspan="1">−175.13 (10)</td>
<td rowspan="1" colspan="1">C14—C15—C16—C11</td>
<td rowspan="1" colspan="1">−0.9 (2)</td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, º)</title>
<table-wrap position="anchor" id="d1e2978"><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">N3—H3···O9<sup>i</sup>
</td>
<td rowspan="1" colspan="1">0.78 (2)</td>
<td rowspan="1" colspan="1">2.05 (2)</td>
<td rowspan="1" colspan="1">2.8228 (17)</td>
<td rowspan="1" colspan="1">172 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—H51···O7<sup>ii</sup>
</td>
<td rowspan="1" colspan="1">0.775 (19)</td>
<td rowspan="1" colspan="1">1.923 (19)</td>
<td rowspan="1" colspan="1">2.6933 (15)</td>
<td rowspan="1" colspan="1">172.7 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—H52···O3<sup>iii</sup>
</td>
<td rowspan="1" colspan="1">0.80 (2)</td>
<td rowspan="1" colspan="1">1.97 (2)</td>
<td rowspan="1" colspan="1">2.7706 (17)</td>
<td rowspan="1" colspan="1">173 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—H61···O2<sup>iv</sup>
</td>
<td rowspan="1" colspan="1">0.83 (2)</td>
<td rowspan="1" colspan="1">2.00 (2)</td>
<td rowspan="1" colspan="1">2.8278 (12)</td>
<td rowspan="1" colspan="1">178 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—H62···O8</td>
<td rowspan="1" colspan="1">0.77 (2)</td>
<td rowspan="1" colspan="1">1.94 (2)</td>
<td rowspan="1" colspan="1">2.7056 (16)</td>
<td rowspan="1" colspan="1">170 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">O7—H71···O3<sup>v</sup>
</td>
<td rowspan="1" colspan="1">0.74 (3)</td>
<td rowspan="1" colspan="1">2.56 (3)</td>
<td rowspan="1" colspan="1">3.2596 (18)</td>
<td rowspan="1" colspan="1">160 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">O7—H72···O1</td>
<td rowspan="1" colspan="1">0.89 (2)</td>
<td rowspan="1" colspan="1">1.86 (2)</td>
<td rowspan="1" colspan="1">2.7543 (16)</td>
<td rowspan="1" colspan="1">175 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">O8—H81···O4<sup>v</sup>
</td>
<td rowspan="1" colspan="1">0.88 (3)</td>
<td rowspan="1" colspan="1">1.97 (3)</td>
<td rowspan="1" colspan="1">2.8221 (19)</td>
<td rowspan="1" colspan="1">163 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">O8—H82···O4<sup>vi</sup>
</td>
<td rowspan="1" colspan="1">0.79 (3)</td>
<td rowspan="1" colspan="1">2.05 (3)</td>
<td rowspan="1" colspan="1">2.832 (2)</td>
<td rowspan="1" colspan="1">175 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">O9—H91···O3<sup>vii</sup>
</td>
<td rowspan="1" colspan="1">0.77 (2)</td>
<td rowspan="1" colspan="1">2.12 (2)</td>
<td rowspan="1" colspan="1">2.8670 (17)</td>
<td rowspan="1" colspan="1">164 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">O9—H92···O3<sup>v</sup>
</td>
<td rowspan="1" colspan="1">0.79 (3)</td>
<td rowspan="1" colspan="1">1.99 (3)</td>
<td rowspan="1" colspan="1">2.7452 (17)</td>
<td rowspan="1" colspan="1">160 (3)</td>
</tr>
</table>
</table-wrap>
<p>Symmetry codes: (i) −<italic>x</italic>
+1, −<italic>y</italic>
+1, −<italic>z</italic>
; (ii) −<italic>x</italic>
+2, −<italic>y</italic>
+1, −<italic>z</italic>
; (iii) −<italic>x</italic>
+3, −<italic>y</italic>
+1, −<italic>z</italic>
+1; (iv) −<italic>x</italic>
+2, −<italic>y</italic>
+1, −<italic>z</italic>
+1; (v) −<italic>x</italic>
+3, −<italic>y</italic>
+2, −<italic>z</italic>
+1; (vi) <italic>x</italic>
−1, <italic>y</italic>
, <italic>z</italic>
; (vii) <italic>x</italic>
−1, <italic>y</italic>
, <italic>z</italic>
−1.</p>
</sec>
</app>
</app-group>
<ref-list><title>References</title>
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, <italic>SAINT</italic>
 and <italic>SADABS</italic>
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</ref>
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<bold>45</bold>
, 849–854.</mixed-citation>
</ref>
<ref id="bb3"><mixed-citation publication-type="other">Rao, C. N. R., Natarajan, S. & Vaidhyanathan, R. (2004). <italic>Angew. Chem. Int. Ed. Engl.</italic>
<bold>43</bold>
, 1466–1496.</mixed-citation>
</ref>
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, 3879–3886.</mixed-citation>
</ref>
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, <bold>359</bold>
, 3269–3274.</mixed-citation>
</ref>
<ref id="bb6"><mixed-citation publication-type="other">Sheldrick, G. M. (2008). <italic>Acta Cryst.</italic>
 A<bold>64</bold>
, 112–122.</mixed-citation>
</ref>
<ref id="bb7"><mixed-citation publication-type="other">Spek, A. L. (2009). <italic>Acta Cryst.</italic>
 D<bold>65</bold>
, 148–155.</mixed-citation>
</ref>
<ref id="bb8"><mixed-citation publication-type="other">Wen, G.-L., Wang, Y.-Y., Zhang, W.-H., Ren, C., Liu, R.-T. & Shi, Q.-Z. (2010). <italic>CrystEngComm</italic>
, <bold>12</bold>
, 1238–1251.</mixed-citation>
</ref>
<ref id="bb9"><mixed-citation publication-type="other">Westrip, S. P. (2010). <italic>J. Appl. Cryst.</italic>
<bold>43</bold>
, 920–925.</mixed-citation>
</ref>
</ref-list>
</back>
<floats-group><table-wrap id="table1" position="float"><label>Table 1</label>
<caption><title>Selected bond lengths (Å)</title>
</caption>
<table frame="hsides" rules="groups"><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—O1</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.0680 (10)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—O2</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.3079 (9)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—O5</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.0877 (12)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—O6</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.1336 (9)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—N1</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.0781 (9)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—N2</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.0596 (10)</td>
</tr>
</tbody>
</table>
</table-wrap>
<table-wrap id="table2" position="float"><label>Table 2</label>
<caption><title>Hydrogen-bond geometry (Å, °)</title>
</caption>
<table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
</tr>
</thead>
<tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N3—H3⋯O9<sup>i</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.78 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.05 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.8228 (17)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">172 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O5—H51⋯O7<sup>ii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.775 (19)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.923 (19)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.6933 (15)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">172.7 (19)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O5—H52⋯O3<sup>iii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.80 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.97 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.7706 (17)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">173 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O6—H61⋯O2<sup>iv</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.83 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.00 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.8278 (12)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">178 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O6—H62⋯O8</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.77 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.94 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.7056 (16)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">170 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O7—H71⋯O3<sup>v</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.74 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.56 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.2596 (18)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">160 (3)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O7—H72⋯O1</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.89 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.86 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.7543 (16)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">175 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O8—H81⋯O4<sup>v</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.88 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.97 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.8221 (19)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">163 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O8—H82⋯O4<sup>vi</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.79 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.05 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.832 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">175 (3)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O9—H91⋯O3<sup>vii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.77 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.12 (2)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.8670 (17)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">164 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O9—H92⋯O3<sup>v</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.79 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.99 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.7452 (17)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">160 (3)</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-69-0m335-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ii) <inline-formula><inline-graphic xlink:href="e-69-0m335-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iii) <inline-formula><inline-graphic xlink:href="e-69-0m335-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iv) <inline-formula><inline-graphic xlink:href="e-69-0m335-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (v) <inline-formula><inline-graphic xlink:href="e-69-0m335-efi6.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (vi) <inline-formula><inline-graphic xlink:href="e-69-0m335-efi7.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (vii) <inline-formula><inline-graphic xlink:href="e-69-0m335-efi8.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
.</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
</record>

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   |area=    AustralieFrV1
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   |type=    RBID
   |clé=     PMC:3684895
   |texte=   (Adipato-κ2O,O′)diaqua[bis(pyridin-2-yl-κN)amine]cobalt(II) trihydrate
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	Serveur d'exploration sur les relations entre la France et l'Australie
	Attention, ce site est en cours de développement ! Attention, site généré par des moyens informatiques à partir de corpus bruts. Les informations ne sont donc pas validées.

Serveur d'exploration sur les relations entre la France et l'Australie

(Adipato-κ2O,O′)di­aqua­[bis­(pyridin-2-yl-κN)amine]­cobalt(II) trihydrate

(Adipato-κ2O,O′)di­aqua­[bis­(pyridin-2-yl-κN)amine]­cobalt(II) trihydrate

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(Adipato-κ2O,O′)diaqua[bis(pyridin-2-yl-κN)amine]cobalt(II) trihydrate

(Adipato-κ2O,O′)diaqua[bis(pyridin-2-yl-κN)amine]cobalt(II) trihydrate