Crystal structure of di-n-but­yl­bis­(η (5)-penta­methyl­cyclo­penta­dien­yl)hafnium(IV)

The crystal structure of the title compound, [Hf(C(10)H(15))(2)(C(4)H(9))(2)], reveals two independent mol­ecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each Hf(IV) atom is coordinated by two...

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Autores principales: Arndt, Perdita, Schubert, Kathleen, Burlakov, Vladimir V., Spannenberg, Anke, Rosenthal, Uwe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384584/
https://www.ncbi.nlm.nih.gov/pubmed/25878834
http://dx.doi.org/10.1107/S2056989015000092
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author Arndt, Perdita
Schubert, Kathleen
Burlakov, Vladimir V.
Spannenberg, Anke
Rosenthal, Uwe
author_facet Arndt, Perdita
Schubert, Kathleen
Burlakov, Vladimir V.
Spannenberg, Anke
Rosenthal, Uwe
author_sort Arndt, Perdita
collection PubMed
description The crystal structure of the title compound, [Hf(C(10)H(15))(2)(C(4)H(9))(2)], reveals two independent mol­ecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each Hf(IV) atom is coordinated by two penta­methyl­cyclo­penta­dienyl and two n-butyl ligands in a distorted tetra­hedral geometry, with the cyclo­penta­dienyl rings inclined to one another by 45.11 (15) and 45.37 (16)°. In contrast to the isostructural di(n-butyl)bis(η (5)-penta­methyl­cyclo­penta­dien­yl)zirconium(IV) complex with a noticeable difference in the Zr–butyl bonding, the Hf—C(but­yl) bond lengths differ from each other by no more than 0.039 (3) Å.
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spelling pubmed-43845842015-04-15 Crystal structure of di-n-but­yl­bis­(η (5)-penta­methyl­cyclo­penta­dien­yl)hafnium(IV) Arndt, Perdita Schubert, Kathleen Burlakov, Vladimir V. Spannenberg, Anke Rosenthal, Uwe Acta Crystallogr E Crystallogr Commun Data Reports The crystal structure of the title compound, [Hf(C(10)H(15))(2)(C(4)H(9))(2)], reveals two independent mol­ecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each Hf(IV) atom is coordinated by two penta­methyl­cyclo­penta­dienyl and two n-butyl ligands in a distorted tetra­hedral geometry, with the cyclo­penta­dienyl rings inclined to one another by 45.11 (15) and 45.37 (16)°. In contrast to the isostructural di(n-butyl)bis(η (5)-penta­methyl­cyclo­penta­dien­yl)zirconium(IV) complex with a noticeable difference in the Zr–butyl bonding, the Hf—C(but­yl) bond lengths differ from each other by no more than 0.039 (3) Å. International Union of Crystallography 2015-01-10 /pmc/articles/PMC4384584/ /pubmed/25878834 http://dx.doi.org/10.1107/S2056989015000092 Text en © Arndt et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ 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.
spellingShingle Data Reports
Arndt, Perdita
Schubert, Kathleen
Burlakov, Vladimir V.
Spannenberg, Anke
Rosenthal, Uwe
Crystal structure of di-n-but­yl­bis­(η (5)-penta­methyl­cyclo­penta­dien­yl)hafnium(IV)
title Crystal structure of di-n-but­yl­bis­(η (5)-penta­methyl­cyclo­penta­dien­yl)hafnium(IV)
title_full Crystal structure of di-n-but­yl­bis­(η (5)-penta­methyl­cyclo­penta­dien­yl)hafnium(IV)
title_fullStr Crystal structure of di-n-but­yl­bis­(η (5)-penta­methyl­cyclo­penta­dien­yl)hafnium(IV)
title_full_unstemmed Crystal structure of di-n-but­yl­bis­(η (5)-penta­methyl­cyclo­penta­dien­yl)hafnium(IV)
title_short Crystal structure of di-n-but­yl­bis­(η (5)-penta­methyl­cyclo­penta­dien­yl)hafnium(IV)
title_sort crystal structure of di-n-but­yl­bis­(η (5)-penta­methyl­cyclo­penta­dien­yl)hafnium(iv)
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384584/
https://www.ncbi.nlm.nih.gov/pubmed/25878834
http://dx.doi.org/10.1107/S2056989015000092
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