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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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Detalles Bibliográficos
Autores principales: Neuba, Adam, Flörke, Ulrich, Henkel, Gerald
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
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.
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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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