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The mixed-valent copper thiolate complex hexakis{μ(3)-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate
The molecular structure of the title compound, [Cu(4) (I)Cu(2) (II)(C(11)H(14)N(3)S)(6)](PF(6))(2)·2CH(3)CN·2CH(2)Cl(2), shows a mixed-valent copper(I/II) thiolate complex with a distorted tetrahedral coordination of the Cu(I) and Cu(II) cations by one guanidine N atom and three S atoms each. Cha...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588332/ https://www.ncbi.nlm.nih.gov/pubmed/23476349 http://dx.doi.org/10.1107/S1600536812050428 |
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author | Neuba, Adam Flörke, Ulrich Henkel, Gerald |
author_facet | Neuba, Adam Flörke, Ulrich Henkel, Gerald |
author_sort | Neuba, Adam |
collection | PubMed |
description | The molecular structure of the title compound, [Cu(4) (I)Cu(2) (II)(C(11)H(14)N(3)S)(6)](PF(6))(2)·2CH(3)CN·2CH(2)Cl(2), shows a mixed-valent copper(I/II) thiolate complex with a distorted tetrahedral coordination of the Cu(I) and Cu(II) cations by one guanidine N atom and three S atoms each. Characteristic features of the Cu(6)S(6) skeleton are a total of six chemically identical μ(3)-thiolate bridges and almost planar Cu(2)S(2) units with a maximum deviation of 0.110 (1) Å from the best plane. Each Cu(2)S(2) unit then shares common Cu–S edges with a neighbouring unit; the enclosed dihedral angle is 60.14 (2)°. The geometric centre of the Cu(6)S(6) cation lies on a crystallographic inversion centre. Cu—S bond lengths range from 2.294 (1) to 2.457 (1) Å, Cu—N bond lengths from 2.005 (3) to 2.018 (3) Å and the non-bonding Cu⋯Cu distances from 2.5743 (7) to 2.5892 (6) Å. C—H⋯F hydrogen-bond interactions occur between the PF(6) (−) anion and the complex molecule and between the PF(6) (−) anion and the acetonitrile solvent molecule. |
format | Online Article Text |
id | pubmed-3588332 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35883322013-03-08 The mixed-valent copper thiolate complex hexakis{μ(3)-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate Neuba, Adam Flörke, Ulrich Henkel, Gerald Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The molecular structure of the title compound, [Cu(4) (I)Cu(2) (II)(C(11)H(14)N(3)S)(6)](PF(6))(2)·2CH(3)CN·2CH(2)Cl(2), shows a mixed-valent copper(I/II) thiolate complex with a distorted tetrahedral coordination of the Cu(I) and Cu(II) cations by one guanidine N atom and three S atoms each. Characteristic features of the Cu(6)S(6) skeleton are a total of six chemically identical μ(3)-thiolate bridges and almost planar Cu(2)S(2) units with a maximum deviation of 0.110 (1) Å from the best plane. Each Cu(2)S(2) unit then shares common Cu–S edges with a neighbouring unit; the enclosed dihedral angle is 60.14 (2)°. The geometric centre of the Cu(6)S(6) cation lies on a crystallographic inversion centre. Cu—S bond lengths range from 2.294 (1) to 2.457 (1) Å, Cu—N bond lengths from 2.005 (3) to 2.018 (3) Å and the non-bonding Cu⋯Cu distances from 2.5743 (7) to 2.5892 (6) Å. C—H⋯F hydrogen-bond interactions occur between the PF(6) (−) anion and the complex molecule and between the PF(6) (−) anion and the acetonitrile solvent molecule. International Union of Crystallography 2012-12-15 /pmc/articles/PMC3588332/ /pubmed/23476349 http://dx.doi.org/10.1107/S1600536812050428 Text en © Neuba et al. 2013 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 Neuba, Adam Flörke, Ulrich Henkel, Gerald The mixed-valent copper thiolate complex hexakis{μ(3)-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
title | The mixed-valent copper thiolate complex hexakis{μ(3)-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
title_full | The mixed-valent copper thiolate complex hexakis{μ(3)-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
title_fullStr | The mixed-valent copper thiolate complex hexakis{μ(3)-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
title_full_unstemmed | The mixed-valent copper thiolate complex hexakis{μ(3)-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
title_short | The mixed-valent copper thiolate complex hexakis{μ(3)-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
title_sort | mixed-valent copper thiolate complex hexakis{μ(3)-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(ii)tetracopper(i) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588332/ https://www.ncbi.nlm.nih.gov/pubmed/23476349 http://dx.doi.org/10.1107/S1600536812050428 |
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