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Tetra-μ(3)-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)]
The title complex, [Cu(4)I(4)(C(12)H(27)P)(4)], crystallizes with six molecules in the unit cell and with three independent one-third molecule fragments, completed by application of the relevant symmetry operators, in the asymmetric unit. The tetranuclear copper core shows a tetrahedral geometry (...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998569/ https://www.ncbi.nlm.nih.gov/pubmed/24826086 http://dx.doi.org/10.1107/S1600536814003390 |
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author | Klenk, Simon Frey, Wolfgang Bubrin, Martina Laschat, Sabine |
author_facet | Klenk, Simon Frey, Wolfgang Bubrin, Martina Laschat, Sabine |
author_sort | Klenk, Simon |
collection | PubMed |
description | The title complex, [Cu(4)I(4)(C(12)H(27)P)(4)], crystallizes with six molecules in the unit cell and with three independent one-third molecule fragments, completed by application of the relevant symmetry operators, in the asymmetric unit. The tetranuclear copper core shows a tetrahedral geometry (site symmetry 3..). The I atoms also form a tetrahedron, with I⋯I distances of 4.471 (1) Å. Both tetrahedra show an orientation similar to that of a pair of self-dual platonic bodies. The edges of the I-tetrahedral structure are capped to the face centers of the Cu-tetrahedron and vice versa. The Cu(face)⋯I distances are 2.18 Å (averaged) and the I(face)⋯Cu distances are 0.78 Å (averaged). As a geometric consequence of these properties there are eight distorted trigonal–bipyramidal polyhedra evident, wherein each trigonal face builds up the equatorial site and the opposite Cu⋯I positions form the axial site. As expected, the n-butyl moieties are highly flexible, resulting in large elongations of their anisotropic displacement parameters. Some C atoms of the n-butyl groups were needed to fix alternative discrete disordered positions. |
format | Online Article Text |
id | pubmed-3998569 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39985692014-05-13 Tetra-μ(3)-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)] Klenk, Simon Frey, Wolfgang Bubrin, Martina Laschat, Sabine Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title complex, [Cu(4)I(4)(C(12)H(27)P)(4)], crystallizes with six molecules in the unit cell and with three independent one-third molecule fragments, completed by application of the relevant symmetry operators, in the asymmetric unit. The tetranuclear copper core shows a tetrahedral geometry (site symmetry 3..). The I atoms also form a tetrahedron, with I⋯I distances of 4.471 (1) Å. Both tetrahedra show an orientation similar to that of a pair of self-dual platonic bodies. The edges of the I-tetrahedral structure are capped to the face centers of the Cu-tetrahedron and vice versa. The Cu(face)⋯I distances are 2.18 Å (averaged) and the I(face)⋯Cu distances are 0.78 Å (averaged). As a geometric consequence of these properties there are eight distorted trigonal–bipyramidal polyhedra evident, wherein each trigonal face builds up the equatorial site and the opposite Cu⋯I positions form the axial site. As expected, the n-butyl moieties are highly flexible, resulting in large elongations of their anisotropic displacement parameters. Some C atoms of the n-butyl groups were needed to fix alternative discrete disordered positions. International Union of Crystallography 2014-03-05 /pmc/articles/PMC3998569/ /pubmed/24826086 http://dx.doi.org/10.1107/S1600536814003390 Text en © Klenk et al. 2014 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 | Metal-Organic Papers Klenk, Simon Frey, Wolfgang Bubrin, Martina Laschat, Sabine Tetra-μ(3)-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)] |
title | Tetra-μ(3)-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)] |
title_full | Tetra-μ(3)-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)] |
title_fullStr | Tetra-μ(3)-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)] |
title_full_unstemmed | Tetra-μ(3)-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)] |
title_short | Tetra-μ(3)-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)] |
title_sort | tetra-μ(3)-iodido-tetrakis[(tri-n-butylphosphane-κp)copper(i)] |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998569/ https://www.ncbi.nlm.nih.gov/pubmed/24826086 http://dx.doi.org/10.1107/S1600536814003390 |
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