Crystal structure of bis(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]cobalt(II)
Identifieur interne : 000049 ( Pmc/Curation ); précédent : 000048; suivant : 000050Crystal structure of bis(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]cobalt(II)
Auteurs : Abdelhakim Laachir [Maroc] ; Fouad Bentiss [Maroc] ; Salaheddine Guesmi [Maroc] ; Mohamed Saadi [Maroc] ; Lahcen El Ammari [Maroc]Source :
- Acta Crystallographica Section E: Crystallographic Communications [ 2056-9890 ] ; 2015.
Abstract
The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN6 core shows an axially weakly compressed octahedral geometry as opposed to the almost regular geometry exhibited by the NiN6 octahedron.
Url:
DOI: 10.1107/S2056989015006544
PubMed: 25995853
PubMed Central: 4420119
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Crystal structure of bis(azido-κ<italic>N</italic>
)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ<sup>2</sup>
<italic>N</italic>
<sup>2</sup>
,<italic>N</italic>
<sup>3</sup>
]cobalt(II)</title>
<author><name sortKey="Laachir, Abdelhakim" sort="Laachir, Abdelhakim" uniqKey="Laachir A" first="Abdelhakim" last="Laachir">Abdelhakim Laachir</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Chimie de Coordination et d’Analytique (LCCA), Faculté des Sciences, Université Chouaib Doukkali, BP 20, M-24000 El Jadida,<country>Morocco</country>
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<country xml:lang="fr">Maroc</country>
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<author><name sortKey="Bentiss, Fouad" sort="Bentiss, Fouad" uniqKey="Bentiss F" first="Fouad" last="Bentiss">Fouad Bentiss</name>
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<author><name sortKey="Guesmi, Salaheddine" sort="Guesmi, Salaheddine" uniqKey="Guesmi S" first="Salaheddine" last="Guesmi">Salaheddine Guesmi</name>
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<author><name sortKey="Saadi, Mohamed" sort="Saadi, Mohamed" uniqKey="Saadi M" first="Mohamed" last="Saadi">Mohamed Saadi</name>
<affiliation wicri:level="1"><nlm:aff id="c">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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</author>
<author><name sortKey="El Ammari, Lahcen" sort="El Ammari, Lahcen" uniqKey="El Ammari L" first="Lahcen" last="El Ammari">Lahcen El Ammari</name>
<affiliation wicri:level="1"><nlm:aff id="c">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
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</affiliation>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Crystal structure of bis(azido-κ<italic>N</italic>
)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ<sup>2</sup>
<italic>N</italic>
<sup>2</sup>
,<italic>N</italic>
<sup>3</sup>
]cobalt(II)</title>
<author><name sortKey="Laachir, Abdelhakim" sort="Laachir, Abdelhakim" uniqKey="Laachir A" first="Abdelhakim" last="Laachir">Abdelhakim Laachir</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Chimie de Coordination et d’Analytique (LCCA), Faculté des Sciences, Université Chouaib Doukkali, BP 20, M-24000 El Jadida,<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Bentiss, Fouad" sort="Bentiss, Fouad" uniqKey="Bentiss F" first="Fouad" last="Bentiss">Fouad Bentiss</name>
<affiliation wicri:level="1"><nlm:aff id="b">Laboratoire de Catalyse et de Corrosion de Matériaux (LCCM), Faculté des Sciences, Université Chouaib Doukkali, BP 20, M-24000 El Jadida,<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Guesmi, Salaheddine" sort="Guesmi, Salaheddine" uniqKey="Guesmi S" first="Salaheddine" last="Guesmi">Salaheddine Guesmi</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Chimie de Coordination et d’Analytique (LCCA), Faculté des Sciences, Université Chouaib Doukkali, BP 20, M-24000 El Jadida,<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Saadi, Mohamed" sort="Saadi, Mohamed" uniqKey="Saadi M" first="Mohamed" last="Saadi">Mohamed Saadi</name>
<affiliation wicri:level="1"><nlm:aff id="c">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="El Ammari, Lahcen" sort="El Ammari, Lahcen" uniqKey="El Ammari L" first="Lahcen" last="El Ammari">Lahcen El Ammari</name>
<affiliation wicri:level="1"><nlm:aff id="c">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
</analytic>
<series><title level="j">Acta Crystallographica Section E: Crystallographic Communications</title>
<idno type="eISSN">2056-9890</idno>
<imprint><date when="2015">2015</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
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<front><div type="abstract" xml:lang="en"><p>The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN<sub>6</sub>
core shows an axially weakly compressed octahedral geometry as opposed to the almost regular geometry exhibited by the NiN<sub>6</sub>
octahedron.</p>
</div>
</front>
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<pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
<front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr E Crystallogr Commun</journal-id>
<journal-id journal-id-type="iso-abbrev">Acta Crystallogr E Crystallogr Commun</journal-id>
<journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id>
<journal-title-group><journal-title>Acta Crystallographica Section E: Crystallographic Communications</journal-title>
</journal-title-group>
<issn pub-type="epub">2056-9890</issn>
<publisher><publisher-name>International Union of Crystallography</publisher-name>
</publisher>
</journal-meta>
<article-meta><article-id pub-id-type="pmid">25995853</article-id>
<article-id pub-id-type="pmc">4420119</article-id>
<article-id pub-id-type="publisher-id">rz5153</article-id>
<article-id pub-id-type="doi">10.1107/S2056989015006544</article-id>
<article-id pub-id-type="coden">ACSECI</article-id>
<article-id pub-id-type="pii">S2056989015006544</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Research Communications</subject>
</subj-group>
</article-categories>
<title-group><article-title>Crystal structure of bis(azido-κ<italic>N</italic>
)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ<sup>2</sup>
<italic>N</italic>
<sup>2</sup>
,<italic>N</italic>
<sup>3</sup>
]cobalt(II)</article-title>
<alt-title><italic>[Co(N<sub>3</sub>
)<sub>2</sub>
(C<sub>12</sub>
H<sub>8</sub>
N<sub>4</sub>
S)<sub>2</sub>
]</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Laachir</surname>
<given-names>Abdelhakim</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Bentiss</surname>
<given-names>Fouad</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Guesmi</surname>
<given-names>Salaheddine</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Saadi</surname>
<given-names>Mohamed</given-names>
</name>
<xref ref-type="aff" rid="c">c</xref>
</contrib>
<contrib contrib-type="author"><name><surname>El Ammari</surname>
<given-names>Lahcen</given-names>
</name>
<xref ref-type="aff" rid="c">c</xref>
</contrib>
<aff id="a"><label>a</label>
Laboratoire de Chimie de Coordination et d’Analytique (LCCA), Faculté des Sciences, Université Chouaib Doukkali, BP 20, M-24000 El Jadida,<country>Morocco</country>
</aff>
<aff id="b"><label>b</label>
Laboratoire de Catalyse et de Corrosion de Matériaux (LCCM), Faculté des Sciences, Université Chouaib Doukkali, BP 20, M-24000 El Jadida,<country>Morocco</country>
</aff>
<aff id="c"><label>c</label>
Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country>
</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>salaheddine_guesmi@yahoo.fr</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>5</month>
<year>2015</year>
</pub-date>
<pub-date pub-type="epub"><day>09</day>
<month>4</month>
<year>2015</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>09</day>
<month>4</month>
<year>2015</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
. </pmc-comment>
<volume>71</volume>
<issue>Pt 5</issue>
<issue-id pub-id-type="publisher-id">e150500</issue-id>
<fpage>452</fpage>
<lpage>454</lpage>
<history><date date-type="received"><day>19</day>
<month>3</month>
<year>2015</year>
</date>
<date date-type="accepted"><day>31</day>
<month>3</month>
<year>2015</year>
</date>
</history>
<permissions><copyright-statement>© Laachir et al. 2015</copyright-statement>
<copyright-year>2015</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/S2056989015006544">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract abstract-type="toc"><p>The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN<sub>6</sub>
core shows an axially weakly compressed octahedral geometry as opposed to the almost regular geometry exhibited by the NiN<sub>6</sub>
octahedron.</p>
</abstract>
<abstract><p>In the mononuclear title complex, [Co(N<sub>3</sub>
)<sub>2</sub>
(C<sub>12</sub>
H<sub>8</sub>
N<sub>4</sub>
S)<sub>2</sub>
], the cobalt(II) atom is located on an inversion centre and displays an axially weakly compressed octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole ligands, whereas the axial positions are occupied by N atoms of the azide anions. The thiadiazole and pyridine rings linked to the metal are almost coplanar, with a maximum deviation from the mean plane of 0.0273 (16) Å. The cohesion of the crystal is ensured by weak C—H⋯N hydrogen bonds and by π–π interactions between pyridine rings [intercentroid distance = 3.6356 (11) Å], forming a layered arrangement parallel to (001). The structure of the title compound is isotypic with that of the analogous nickel(II) complex [Laachir <italic>et al.</italic>
(2013<xref ref-type="bibr" rid="bb8"> ▸</xref>
). <italic>Acta Cryst.</italic>
E<bold>69</bold>
, m351–m352].</p>
</abstract>
<kwd-group><kwd>crystal structure</kwd>
<kwd>transition metal</kwd>
<kwd>2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole ligand</kwd>
<kwd>azide compounds</kwd>
<kwd>hydrogen bonding</kwd>
<kwd>π–π interactions</kwd>
</kwd-group>
</article-meta>
</front>
<floats-group><fig id="fig1" position="float"><label>Figure 1</label>
<caption><p>The molecular structure of the title compound with displacement ellipsoids drawn at the 50% probability level. H atoms are represented as spheres of arbitrary radius. [Symmetry code: (i) −<italic>x</italic>
, −<italic>y</italic>
, −<italic>z</italic>
.]</p>
</caption>
<graphic xlink:href="e-71-00452-fig1"></graphic>
</fig>
<fig id="fig2" position="float"><label>Figure 2</label>
<caption><p>Partial crystal packing of the title compound, showing intermolecular π–π interactions between pyridine rings (dashed green lines) and intermolecular C—H⋯N hydrogen bonds (dashed blue lines).</p>
</caption>
<graphic xlink:href="e-71-00452-fig2"></graphic>
</fig>
<table-wrap id="table1" position="float"><label>Table 1</label>
<caption><title>Hydrogen-bond geometry (, )</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 rowspan="1" colspan="1" align="left" valign="top">C2H2N6<sup>i</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.59</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.432(3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">151</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C11H11N7<sup>ii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.60</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.528(3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">173</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C10H10N1<sup>iii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.63</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.438(2)</td>
<td rowspan="1" colspan="1" align="left" valign="top">146</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-71-00452-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ii) <inline-formula><inline-graphic xlink:href="e-71-00452-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iii) <inline-formula><inline-graphic xlink:href="e-71-00452-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
.</p>
</table-wrap-foot>
</table-wrap>
<table-wrap id="table2" position="float"><label>Table 2</label>
<caption><title>Experimental details</title>
</caption>
<table frame="hsides" rules="groups"><tbody valign="top"><tr><td rowspan="1" colspan="2" align="left" valign="top">Crystal data</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Chemical formula</td>
<td rowspan="1" colspan="1" align="left" valign="top">[Co(N<sub>3</sub>
)<sub>2</sub>
(C<sub>12</sub>
H<sub>8</sub>
N<sub>4</sub>
S)<sub>2</sub>
]</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>M</italic>
<sub>r</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">623.56</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Crystal system, space group</td>
<td rowspan="1" colspan="1" align="left" valign="top">Monoclinic, <italic>P</italic>
2<sub>1</sub>
/<italic>c</italic>
</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Temperature (K)</td>
<td rowspan="1" colspan="1" align="left" valign="top">296</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>a</italic>
, <italic>b</italic>
, <italic>c</italic>
()</td>
<td rowspan="1" colspan="1" align="left" valign="top">7.8004(3), 8.2439(3), 20.3222(8)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"> ()</td>
<td rowspan="1" colspan="1" align="left" valign="top">92.910(2)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>V</italic>
(<sup>3</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">1305.15(9)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>Z</italic>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">2</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Radiation type</td>
<td rowspan="1" colspan="1" align="left" valign="top">Mo <italic>K</italic>
</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"> (mm<sup>1</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.86</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Crystal size (mm)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.39 0.31 0.18</td>
</tr>
<tr><td rowspan="1" colspan="2" align="left" valign="top"> </td>
</tr>
<tr><td rowspan="1" colspan="2" align="left" valign="top">Data collection</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Diffractometer</td>
<td rowspan="1" colspan="1" align="left" valign="top">Bruker APEXII CCD</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Absorption correction</td>
<td rowspan="1" colspan="1" align="left" valign="top">Multi-scan (<italic>SADABS</italic>
; Bruker, 2009<xref ref-type="bibr" rid="bb5"> ▸</xref>
)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>T</italic>
<sub>min</sub>
, <italic>T</italic>
<sub>max</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.640, 0.747</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">No. of measured, independent and observed [<italic>I</italic>
> 2(<italic>I</italic>
)] reflections</td>
<td rowspan="1" colspan="1" align="left" valign="top">27415, 3667, 2884</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>R</italic>
<sub>int</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.043</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">(sin /)<sub>max</sub>
(<sup>1</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.694</td>
</tr>
<tr><td rowspan="1" colspan="2" align="left" valign="top"> </td>
</tr>
<tr><td rowspan="1" colspan="2" align="left" valign="top">Refinement</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>R</italic>
[<italic>F</italic>
<sup>2</sup>
> 2(<italic>F</italic>
<sup>2</sup>
)], <italic>wR</italic>
(<italic>F</italic>
<sup>2</sup>
), <italic>S</italic>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.035, 0.088, 1.03</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">No. of reflections</td>
<td rowspan="1" colspan="1" align="left" valign="top">3667</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">No. of parameters</td>
<td rowspan="1" colspan="1" align="left" valign="top">187</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">H-atom treatment</td>
<td rowspan="1" colspan="1" align="left" valign="top">H-atom parameters constrained</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><sub>max</sub>
, <sub>min</sub>
(e <sup>3</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.70, 0.26</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Computer programs: <italic>APEX2</italic>
and <italic>SAINT</italic>
(Bruker, 2009<xref ref-type="bibr" rid="bb5"> ▸</xref>
), <italic>SHELXS97</italic>
and <italic>SHELXL97</italic>
(Sheldrick, 2008<xref ref-type="bibr" rid="bb13"> ▸</xref>
), <italic>ORTEP-3 for Windows</italic>
and <italic>WinGX</italic>
(Farrugia, 2012<xref ref-type="bibr" rid="bb6"> ▸</xref>
).</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
</record>
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