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Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ4N}zinc

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

Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ4N}zinc

Auteurs : Soumaya Nasri [Tunisie] ; Khaireddine Ezzayani [Tunisie] ; Ilona Turowska-Tyrk [Pologne] ; Thierry Roisnel [France] ; Habib Nasri [Tunisie]

Source :

Acta Crystallographica Section E: Crystallographic Communications [ 2056-9890 ] ; 2016.

RBID : PMC:4992910

Abstract

The molecular structure of the piperazine[5,10,15,20-(tetraphenylbenzoate)porphyrinato-κ⁴N]zinc(II) complex is composed of parallel pairs of layers with an interlayer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4992910

DOI: 10.1107/S2056989016009269
PubMed: 27555935
PubMed Central: 4992910

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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Crystal structure of an unknown solvate of (piperazine-κ<italic>N</italic>
){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ<sup>4</sup>
<italic>N</italic>
}zinc</title>
<author><name sortKey="Nasri, Soumaya" sort="Nasri, Soumaya" uniqKey="Nasri S" first="Soumaya" last="Nasri">Soumaya Nasri</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
<country xml:lang="fr">Tunisie</country>
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<author><name sortKey="Ezzayani, Khaireddine" sort="Ezzayani, Khaireddine" uniqKey="Ezzayani K" first="Khaireddine" last="Ezzayani">Khaireddine Ezzayani</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
<country xml:lang="fr">Tunisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Turowska Tyrk, Ilona" sort="Turowska Tyrk, Ilona" uniqKey="Turowska Tyrk I" first="Ilona" last="Turowska-Tyrk">Ilona Turowska-Tyrk</name>
<affiliation wicri:level="1"><nlm:aff id="b">Faculty of Chemistry, Wroław University of Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wroław,<country>Poland</country>
</nlm:aff>
<country xml:lang="fr">Pologne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Roisnel, Thierry" sort="Roisnel, Thierry" uniqKey="Roisnel T" first="Thierry" last="Roisnel">Thierry Roisnel</name>
<affiliation wicri:level="1"><nlm:aff id="c">Centre de Diffractométrie X, Institut des Sciences Chimiques de Rennes, UMR 6226, CNRS–Université de, Rennes, 1, Campus de Beaulieu, 35042 Rennes Cedex,<country>France</country>
</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Nasri, Habib" sort="Nasri, Habib" uniqKey="Nasri H" first="Habib" last="Nasri">Habib Nasri</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
<country xml:lang="fr">Tunisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Crystal structure of an unknown solvate of (piperazine-κ<italic>N</italic>
){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ<sup>4</sup>
<italic>N</italic>
}zinc</title>
<author><name sortKey="Nasri, Soumaya" sort="Nasri, Soumaya" uniqKey="Nasri S" first="Soumaya" last="Nasri">Soumaya Nasri</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
<country xml:lang="fr">Tunisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Ezzayani, Khaireddine" sort="Ezzayani, Khaireddine" uniqKey="Ezzayani K" first="Khaireddine" last="Ezzayani">Khaireddine Ezzayani</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
<country xml:lang="fr">Tunisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Turowska Tyrk, Ilona" sort="Turowska Tyrk, Ilona" uniqKey="Turowska Tyrk I" first="Ilona" last="Turowska-Tyrk">Ilona Turowska-Tyrk</name>
<affiliation wicri:level="1"><nlm:aff id="b">Faculty of Chemistry, Wroław University of Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wroław,<country>Poland</country>
</nlm:aff>
<country xml:lang="fr">Pologne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Roisnel, Thierry" sort="Roisnel, Thierry" uniqKey="Roisnel T" first="Thierry" last="Roisnel">Thierry Roisnel</name>
<affiliation wicri:level="1"><nlm:aff id="c">Centre de Diffractométrie X, Institut des Sciences Chimiques de Rennes, UMR 6226, CNRS–Université de, Rennes, 1, Campus de Beaulieu, 35042 Rennes Cedex,<country>France</country>
</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Nasri, Habib" sort="Nasri, Habib" uniqKey="Nasri H" first="Habib" last="Nasri">Habib Nasri</name>
<affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
<country xml:lang="fr">Tunisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
</analytic>
<series><title level="j">Acta Crystallographica Section E: Crystallographic Communications</title>
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<imprint><date when="2016">2016</date>
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<front><div type="abstract" xml:lang="en"><p>The molecular structure of the piperazine[5,10,15,20-(tetraphenylbenzoate)porphyrinato-κ<sup>4</sup>
<italic>N</italic>
]zinc(II) complex is composed of parallel pairs of layers with an interlayer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å.</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">27555935</article-id>
<article-id pub-id-type="pmc">4992910</article-id>
<article-id pub-id-type="publisher-id">lh5815</article-id>
<article-id pub-id-type="doi">10.1107/S2056989016009269</article-id>
<article-id pub-id-type="coden">ACSECI</article-id>
<article-id pub-id-type="pii">S2056989016009269</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 an unknown solvate of (piperazine-κ<italic>N</italic>
){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ<sup>4</sup>
<italic>N</italic>
}zinc</article-title>
<alt-title><italic>[Zn(C<sub>72</sub>
H<sub>44</sub>
N<sub>4</sub>
O<sub>8</sub>
)(C<sub>4</sub>
H<sub>10</sub>
N<sub>2</sub>
)]</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Nasri</surname>
<given-names>Soumaya</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>Ezzayani</surname>
<given-names>Khaireddine</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Turowska-Tyrk</surname>
<given-names>Ilona</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Roisnel</surname>
<given-names>Thierry</given-names>
</name>
<xref ref-type="aff" rid="c">c</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Nasri</surname>
<given-names>Habib</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<aff id="a"><label>a</label>
Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</aff>
<aff id="b"><label>b</label>
Faculty of Chemistry, Wroław University of Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wroław,<country>Poland</country>
</aff>
<aff id="c"><label>c</label>
Centre de Diffractométrie X, Institut des Sciences Chimiques de Rennes, UMR 6226, CNRS–Université de, Rennes, 1, Campus de Beaulieu, 35042 Rennes Cedex,<country>France</country>
</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>nn.soumaya@gmail.com</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>7</month>
<year>2016</year>
</pub-date>
<pub-date pub-type="epub"><day>14</day>
<month>6</month>
<year>2016</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>14</day>
<month>6</month>
<year>2016</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the . </pmc-comment>
      <volume>72</volume>
<issue>Pt 7</issue>
<issue-id pub-id-type="publisher-id">e160700</issue-id>
<fpage>937</fpage>
<lpage>942</lpage>
<history><date date-type="received"><day>26</day>
<month>5</month>
<year>2016</year>
</date>
<date date-type="accepted"><day>07</day>
<month>6</month>
<year>2016</year>
</date>
</history>
<permissions><copyright-statement>© Nasri et al. 2016</copyright-statement>
<copyright-year>2016</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/S2056989016009269">A full version of this
article is available from Crystallography Journals Online.</self-uri>
<abstract abstract-type="toc"><p>The molecular structure of the piperazine[5,10,15,20-(tetraphenylbenzoate)porphyrinato-κ<sup>4</sup>
<italic>N</italic>
]zinc(II) complex is composed of parallel pairs of layers with an interlayer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å.</p>
</abstract>
<abstract><p>The title compound, [Zn(C<sub>72</sub>
H<sub>44</sub>
N<sub>4</sub>
O<sub>8</sub>
)(C<sub>4</sub>
H<sub>10</sub>
N<sub>2</sub>
)] or [Zn(TPBP)(pipz] (where TPBP and pipz are 5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato and piperazine ligands respectively), features a distorted square-pyramidal coordination geometry about the central Zn<sup>II</sup>
 atom. This central atom is chelated by the four N atoms of the porphyrinate anion and further coordinated by a nitrogen atom of the piperazine axial ligand, which adopts a chair confirmation. The average Zn—N(pyrrole) bond length is 2.078 (7) Å and the Zn— N(pipz) bond length is 2.1274 (19) Å. The zinc cation is displaced by 0.4365 (4) Å from the N<sub>4</sub>
C<sub>20</sub>
 mean plane of the porphyrinate anion toward the piperazine axial ligand. This porphyrinate macrocycle exhibits major <italic>saddle</italic>
 and moderate <italic>ruffling</italic>
 deformations. In the crystal, the supramolecular structure is made by parallel pairs of layers along (100), with an interlayer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å. A region of electron density was treated with the SQUEEZE [Spek (2015<xref ref-type="bibr" rid="bb22"> ▸</xref>
). Acta Cryst. C71, 9–18] procedure in <italic>PLATON</italic>
 following unsuccessful attempts to model it as being part of disordered <italic>n</italic>
-hexane solvent and water molecules. The given chemical formula and other crystal data do not take into account these solvent molecules.</p>
</abstract>
<kwd-group><kwd>crystal structure</kwd>
<kwd>zinc porphyrin</kwd>
<kwd>piperazine</kwd>
<kwd>hydrogen bonds</kwd>
<kwd>UV–visible spectra</kwd>
</kwd-group>
</article-meta>
</front>
<floats-group><fig id="fig1" position="float"><label>Figure 1</label>
<caption><p>An <italic>ORTEP</italic>
 view of the molecular structure of the [Zn(TPBP)(pipz)] complex with the atom-numbering scheme. Displacement ellipsoids are drawn at the 40% probability level. H atoms have been omitted for clarity.</p>
</caption>
<graphic xlink:href="e-72-00937-fig1"></graphic>
</fig>
<fig id="fig2" position="float"><label>Figure 2</label>
<caption><p>Formal diagram of the porphyrinate core illustrating the displacements of each atom from the 24-atom core plane in units of 0.01 Å.</p>
</caption>
<graphic xlink:href="e-72-00937-fig2"></graphic>
</fig>
<fig id="fig3" position="float"><label>Figure 3</label>
<caption><p>The packing of (I)<xref ref-type="chem" rid="scheme1"></xref>
 viewed along [010] showing the two-dimensional superstructure formed by pairs of layers.</p>
</caption>
<graphic xlink:href="e-72-00937-fig3"></graphic>
</fig>
<fig id="fig4" position="float"><label>Figure 4</label>
<caption><p>The packing of (I)<xref ref-type="chem" rid="scheme1"></xref>
 viewed along [100] showing the intermolecular interactions between two layers and between two pairs of layers.</p>
</caption>
<graphic xlink:href="e-72-00937-fig4"></graphic>
</fig>
<fig id="fig5" position="float"><label>Figure 5</label>
<caption><p>A drawing of (I)<xref ref-type="chem" rid="scheme1"></xref>
 viewed along the [100] direction showing the intermolecular interactions between two layers and between two pairs of layers.</p>
</caption>
<graphic xlink:href="e-72-00937-fig5"></graphic>
</fig>
<fig id="fig6" position="float"><label>Figure 6</label>
<caption><p>Solid UV–visible spectra of the [Zn(TPBP)] starting material (black) and complex (I)<xref ref-type="chem" rid="scheme1"></xref>
 (red).</p>
</caption>
<graphic xlink:href="e-72-00937-fig6"></graphic>
</fig>
<fig id="fig7" position="float"><label>Figure 7</label>
<caption><p>Packing diagram of (I)<xref ref-type="chem" rid="scheme1"></xref>
 showing the voids in the structure represented in orange. Voids were calculated for a ball radius of 1.2 Å and a grid of 0.7 Å.</p>
</caption>
<graphic xlink:href="e-72-00937-fig7"></graphic>
</fig>
<table-wrap id="table1" position="float"><label>Table 1</label>
<caption><title>Hydrogen-bond geometry (Å, °)</title>
<p><italic>Cg</italic>
3 is the centroid of the N3/C11–C14 pyrrole ring. <italic>Cg</italic>
10, <italic>Cg</italic>
11, <italic>Cg</italic>
12, <italic>Cg</italic>
15 and <italic>Cg</italic>
17 are the centroids of the C21–C26, C28–C33, C34–C39, C54–59 and C67–C72 phenyl rings respectively.</p>
</caption>
<table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
</tr>
</thead>
<tbody valign="top"><tr><td rowspan="1" colspan="1" align="left" valign="top">N5—H5⋯O4<sup>i</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.80 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.15 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.904 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">158 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">N6—H6⋯N1<sup>ii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.96 (2)</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.57 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.434 (4)</td>
<td rowspan="1" colspan="1" align="left" valign="top">151 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C51—H51⋯O8<sup>iii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.47</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.284 (4)</td>
<td rowspan="1" colspan="1" align="left" valign="top">144</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C62—H62⋯O6<sup>iv</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.45</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.339 (4)</td>
<td rowspan="1" colspan="1" align="left" valign="top">155</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C39—H39⋯<italic>Cg</italic>
3<sup>v</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.81</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.392 (2)</td>
<td rowspan="1" colspan="1" align="left" valign="top">120</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C48—H48⋯<italic>Cg</italic>
12<sup>v</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.88</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.755 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">153</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C49—H49⋯<italic>Cg</italic>
17<sup>iv</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.90</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.804 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">160</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C56—H56⋯<italic>Cg</italic>
10<sup>vi</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.78</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.623 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">147</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C64—H64⋯<italic>Cg</italic>
15<sup>iii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.64</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.566 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">164</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C69—H69⋯<italic>Cg</italic>
11<sup>vii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.672 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">134</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-72-00937-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ii) <inline-formula><inline-graphic xlink:href="e-72-00937-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iii) <inline-formula><inline-graphic xlink:href="e-72-00937-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iv) <inline-formula><inline-graphic xlink:href="e-72-00937-efi6.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (v) <inline-formula><inline-graphic xlink:href="e-72-00937-efi7.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (vi) <inline-formula><inline-graphic xlink:href="e-72-00937-efi8.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (vii) <inline-formula><inline-graphic xlink:href="e-72-00937-efi9.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">[Zn(C<sub>72</sub>
H<sub>44</sub>
N<sub>4</sub>
O<sub>8</sub>
)(C<sub>4</sub>
H<sub>10</sub>
N<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">1244.62</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">Triclinic, <italic>P</italic>
<inline-formula><inline-graphic xlink:href="e-72-00937-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Temperature (K)</td>
<td rowspan="1" colspan="1" align="left" valign="top">150</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>a</italic>
, <italic>b</italic>
, <italic>c</italic>
 (Å)</td>
<td rowspan="1" colspan="1" align="left" valign="top">8.4332 (8), 20.1895 (17), 21.0104 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">α, β, γ (°)</td>
<td rowspan="1" colspan="1" align="left" valign="top">102.338 (3), 100.996 (3), 98.412 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>V</italic>
 (Å<sup>3</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">3364.6 (5)</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>
α</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">μ (mm<sup>−1</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.43</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">0.30 × 0.20 × 0.16</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">D8 VENTURE Bruker AXS</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, 2015<xref ref-type="bibr" rid="bb2"> ▸</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">0.684, 0.746</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">No. of measured, independent and observed [<italic>I</italic>
 > 2σ(<italic>I</italic>
)] reflections</td>
<td rowspan="1" colspan="1" align="left" valign="top">60504, 13198, 11791</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">0.028</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">(sin θ/λ)<sub>max</sub>
 (Å<sup>−1</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.617</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>
 > 2σ(<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">0.043, 0.119, 1.05</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">13198</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">827</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">No. of restraints</td>
<td rowspan="1" colspan="1" align="left" valign="top">43</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 atoms treated by a mixture of independent and constrained refinement</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Δρ<sub>max</sub>
, Δρ<sub>min</sub>
 (e Å<sup>−3</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.63, −0.54</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Computer programs: <italic>APEX3</italic>
 and <italic>SAINT</italic>
 (Bruker, 2015<xref ref-type="bibr" rid="bb2"> ▸</xref>
), <italic>SIR2004</italic>
 (Burla <italic>et al.</italic>
, 2005<xref ref-type="bibr" rid="bb3"> ▸</xref>
), <italic>SHELXL2015</italic>
 (Sheldrick, 2015<xref ref-type="bibr" rid="bb19"> ▸</xref>
), <italic>ORTEPIII</italic>
 (Burnett & Johnson, 1996<xref ref-type="bibr" rid="bb4"> ▸</xref>
), <italic>ORTEP-3 for Windows</italic>
 and <italic>WinGX</italic>
 publication routines (Farrugia, 2012<xref ref-type="bibr" rid="bb8"> ▸</xref>
).</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
</record>

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Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetra­kis­[4-(benzo­yloxy)phen­yl]porphyrinato-κ4N}zinc

Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetra­kis­[4-(benzo­yloxy)phen­yl]porphyrinato-κ4N}zinc

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Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ4N}zinc

Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ4N}zinc