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

Identifieur interne : 000326 ( Pmc/Checkpoint ); précédent : 000325; suivant : 000327

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

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

Source :

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

RBID : PMC:2969540

Abstract

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

Url:

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

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

Affiliations:

Canada

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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Bis[tris(3-<italic>tert</italic>
-butyl-5-methylpyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate</title>
<author><name sortKey="Saliu, Kuburat O" sort="Saliu, Kuburat O" uniqKey="Saliu K" first="Kuburat O." last="Saliu">Kuburat O. Saliu</name>
<affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Takats, Josef" sort="Takats, Josef" uniqKey="Takats J" first="Josef" last="Takats">Josef Takats</name>
<affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Ferguson, Michael J" sort="Ferguson, Michael J" uniqKey="Ferguson M" first="Michael J." last="Ferguson">Michael J. Ferguson</name>
<affiliation wicri:level="1"><nlm:aff id="b">X-ray Crystallography Laboratory, Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
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<idno type="pmid">21583010</idno>
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<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969540</idno>
<idno type="RBID">PMC:2969540</idno>
<idno type="doi">10.1107/S1600536809017152</idno>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Bis[tris(3-<italic>tert</italic>
-butyl-5-methylpyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate</title>
<author><name sortKey="Saliu, Kuburat O" sort="Saliu, Kuburat O" uniqKey="Saliu K" first="Kuburat O." last="Saliu">Kuburat O. Saliu</name>
<affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Takats, Josef" sort="Takats, Josef" uniqKey="Takats J" first="Josef" last="Takats">Josef Takats</name>
<affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Ferguson, Michael J" sort="Ferguson, Michael J" uniqKey="Ferguson M" first="Michael J." last="Ferguson">Michael J. Ferguson</name>
<affiliation wicri:level="1"><nlm:aff id="b">X-ray Crystallography Laboratory, Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
</analytic>
<series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title>
<idno type="eISSN">1600-5368</idno>
<imprint><date when="2009">2009</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en"><p>In the title compound, [Yb(C<sub>24</sub>
H<sub>40</sub>
BN<sub>6</sub>
)<sub>2</sub>
]·C<sub>7</sub>
H<sub>8</sub>
, the Yb atom is coordinated by two tris(3-<italic>tert</italic>
-butyl-5-methylpyrazol-1-yl)hydridoborate [Tp<sup><italic>t</italic>
Bu,Me</sup>
] ligands. One ligand binds in the κ<sup>3</sup>
 mode, throuh three N atoms of the pyrazolyl rings, the other ligand coordinates through two N atoms of the pyrazolyl rings and the H atom attached to the central B <italic>via</italic>
 an agostic-type interaction through the B—H group of the second Tp<sup><italic>t</italic>
Bu,Me</sup>
 ligand, giving an overall distorted octahedral geometry. One of the <italic>tert</italic>
-butyl groups is disordered over two sites, with occupancies of 0.65 and 0.35.</p>
</div>
</front>
<back><div1 type="bibliography"><listBibl><biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
</listBibl>
</div1>
</back>
</TEI>
<pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
  <front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr Sect E Struct Rep Online</journal-id>
<journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id>
<journal-title-group><journal-title>Acta Crystallographica Section E: Structure Reports Online</journal-title>
</journal-title-group>
<issn pub-type="epub">1600-5368</issn>
<publisher><publisher-name>International Union of Crystallography</publisher-name>
</publisher>
</journal-meta>
<article-meta><article-id pub-id-type="pmid">21583010</article-id>
<article-id pub-id-type="pmc">2969540</article-id>
<article-id pub-id-type="publisher-id">lh2812</article-id>
<article-id pub-id-type="doi">10.1107/S1600536809017152</article-id>
<article-id pub-id-type="coden">ACSEBH</article-id>
<article-id pub-id-type="pii">S1600536809017152</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject>
</subj-group>
</article-categories>
<title-group><article-title>Bis[tris(3-<italic>tert</italic>
-butyl-5-methylpyrazol-1-yl)hydridoborato]ytterbium(II) toluene solvate</article-title>
<alt-title><italic>[Yb(C<sub>24</sub>
H<sub>40</sub>
BN<sub>6</sub>
)<sub>2</sub>
]·C<sub>7</sub>
H<sub>8</sub>
</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Saliu</surname>
<given-names>Kuburat O.</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Takats</surname>
<given-names>Josef</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Ferguson</surname>
<given-names>Michael J.</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<aff id="a"><label>a</label>
Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</aff>
<aff id="b"><label>b</label>
X-ray Crystallography Laboratory, Department of Chemistry, University of Alberta, Edmonton, Alberta,<country>Canada</country>
 T6G 2G2</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>michael.ferguson@ualberta.ca</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>6</month>
<year>2009</year>
</pub-date>
<pub-date pub-type="epub"><day>14</day>
<month>5</month>
<year>2009</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>14</day>
<month>5</month>
<year>2009</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the 
 							. </pmc-comment>
      <volume>65</volume>
<issue>Pt 6</issue>
<issue-id pub-id-type="publisher-id">e090600</issue-id>
<fpage>m643</fpage>
<lpage>m644</lpage>
<history><date date-type="received"><day>23</day>
<month>4</month>
<year>2009</year>
</date>
<date date-type="accepted"><day>06</day>
<month>5</month>
<year>2009</year>
</date>
</history>
<permissions><copyright-statement>© Saliu et al. 2009</copyright-statement>
<copyright-year>2009</copyright-year>
<license license-type="open-access" xlink:href="http://creativecommons.org/licenses/by/2.0/uk/"><license-p>This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.</license-p>
</license>
</permissions>
<self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536809017152">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract><p>In the title compound, [Yb(C<sub>24</sub>
H<sub>40</sub>
BN<sub>6</sub>
)<sub>2</sub>
]·C<sub>7</sub>
H<sub>8</sub>
, the Yb atom is coordinated by two tris(3-<italic>tert</italic>
-butyl-5-methylpyrazol-1-yl)hydridoborate [Tp<sup><italic>t</italic>
Bu,Me</sup>
] ligands. One ligand binds in the κ<sup>3</sup>
 mode, throuh three N atoms of the pyrazolyl rings, the other ligand coordinates through two N atoms of the pyrazolyl rings and the H atom attached to the central B <italic>via</italic>
 an agostic-type interaction through the B—H group of the second Tp<sup><italic>t</italic>
Bu,Me</sup>
 ligand, giving an overall distorted octahedral geometry. One of the <italic>tert</italic>
-butyl groups is disordered over two sites, with occupancies of 0.65 and 0.35.</p>
</abstract>
</article-meta>
</front>
<floats-group><table-wrap id="table1" position="float"><label>Table 1</label>
<caption><title>Selected geometric parameters (Å, °)</title>
</caption>
<table frame="hsides" rules="groups"><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N32</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.477 (3)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N12</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.524 (3)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N22</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.547 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N42</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.555 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N52</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.632 (3)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—N41</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.990 (2)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Yb—H2<italic>B</italic>
</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">2.29 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N11—B1</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.554 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N21—B1</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.558 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N31—B1</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.560 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N41—B2</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.546 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N51—B2</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.553 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N61—B2</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.527 (4)</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">B2—H2<italic>B</italic>
</td>
<td style="" rowspan="1" colspan="1" align="char" valign="top">1.16 (3)</td>
</tr>
</tbody>
</table>
</table-wrap>
<table-wrap id="table2" position="float"><label>Table 2</label>
<caption><title>Hydrogen-bond geometry (Å, °)</title>
</caption>
<table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
</tr>
</thead>
<tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">B2—H2<italic>B</italic>
⋯Yb</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.16 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.29 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.002 (3)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">118 (2)</td>
</tr>
</tbody>
</table>
</table-wrap>
</floats-group>
</pmc>
<affiliations><list><country><li>Canada</li>
</country>
</list>
<tree><country name="Canada"><noRegion><name sortKey="Saliu, Kuburat O" sort="Saliu, Kuburat O" uniqKey="Saliu K" first="Kuburat O." last="Saliu">Kuburat O. Saliu</name>
</noRegion>
<name sortKey="Ferguson, Michael J" sort="Ferguson, Michael J" uniqKey="Ferguson M" first="Michael J." last="Ferguson">Michael J. Ferguson</name>
<name sortKey="Takats, Josef" sort="Takats, Josef" uniqKey="Takats J" first="Josef" last="Takats">Josef Takats</name>
</country>
</tree>
</affiliations>
</record>

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

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

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

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