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Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)pentacopper(II)
The title compound, (C(8)H(20)N)(2)[Cu(5)(C(7)H(4)NO(3))(4)(C(3)H(7)NO)(2)], abbreviated as (TEA)(2)[Cu(II)(12-MC(Cu(II)) (N(shi))-4](DMF)(2) [where TEA is tetraethylammonium, shi(3−) is salicylhydroximate (or N,2-dioxidobenzene-1-carboximidate) and DMF is N,N-dimethylformamide], contains five C...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099866/ https://www.ncbi.nlm.nih.gov/pubmed/21753949 http://dx.doi.org/10.1107/S1600536811007975 |
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author | Herring, Jacob Zeller, Matthias Zaleski, Curtis M. |
author_facet | Herring, Jacob Zeller, Matthias Zaleski, Curtis M. |
author_sort | Herring, Jacob |
collection | PubMed |
description | The title compound, (C(8)H(20)N)(2)[Cu(5)(C(7)H(4)NO(3))(4)(C(3)H(7)NO)(2)], abbreviated as (TEA)(2)[Cu(II)(12-MC(Cu(II)) (N(shi))-4](DMF)(2) [where TEA is tetraethylammonium, shi(3−) is salicylhydroximate (or N,2-dioxidobenzene-1-carboximidate) and DMF is N,N-dimethylformamide], contains five Cu(II) ions. Four of the Cu(II) ions are members of a metallacrown ring (MC), while the fifth Cu(II) is bound in a central cavity. Two of the ring Cu(II) ions are five-coordinate with distorted square-pyramidal geometry. The coordination sphere is composed of two shi(3−) ligands and one DMF molecule. The other two ring Cu(II) ions and the central Cu(II) ion are four-coordinate with square-planar geometry. The coordination spheres of these ions are only composed of shi(3−) ligands. The charge of the [Cu(II)(12-MC(Cu(II)) (N(shi))-4](2−) unit is balanced by two uncoordinated TEA(+) countercations. The structure shows severe static disorder with the metallacrown, the tetraethylammonium cations and the DMF solvent molecule all disordered over each of two mutually exclusive sites, with occupancy rates for the major moieties of 0.6215 (6) for the metallacrown, 0.759 (3) for the tetraethylammonium ion and 0.537 (6) for the DMF molecules. The metallacrown unit is located on a crystallographic inversion center and disordered about a non-crystallographic twofold axis. The DMF molecule and the tetraethylammonium ion are disordered about a non-crystallographic twofold axis and pseudo-inversion center, respectively. |
format | Text |
id | pubmed-3099866 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30998662011-07-13 Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)pentacopper(II) Herring, Jacob Zeller, Matthias Zaleski, Curtis M. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, (C(8)H(20)N)(2)[Cu(5)(C(7)H(4)NO(3))(4)(C(3)H(7)NO)(2)], abbreviated as (TEA)(2)[Cu(II)(12-MC(Cu(II)) (N(shi))-4](DMF)(2) [where TEA is tetraethylammonium, shi(3−) is salicylhydroximate (or N,2-dioxidobenzene-1-carboximidate) and DMF is N,N-dimethylformamide], contains five Cu(II) ions. Four of the Cu(II) ions are members of a metallacrown ring (MC), while the fifth Cu(II) is bound in a central cavity. Two of the ring Cu(II) ions are five-coordinate with distorted square-pyramidal geometry. The coordination sphere is composed of two shi(3−) ligands and one DMF molecule. The other two ring Cu(II) ions and the central Cu(II) ion are four-coordinate with square-planar geometry. The coordination spheres of these ions are only composed of shi(3−) ligands. The charge of the [Cu(II)(12-MC(Cu(II)) (N(shi))-4](2−) unit is balanced by two uncoordinated TEA(+) countercations. The structure shows severe static disorder with the metallacrown, the tetraethylammonium cations and the DMF solvent molecule all disordered over each of two mutually exclusive sites, with occupancy rates for the major moieties of 0.6215 (6) for the metallacrown, 0.759 (3) for the tetraethylammonium ion and 0.537 (6) for the DMF molecules. The metallacrown unit is located on a crystallographic inversion center and disordered about a non-crystallographic twofold axis. The DMF molecule and the tetraethylammonium ion are disordered about a non-crystallographic twofold axis and pseudo-inversion center, respectively. International Union of Crystallography 2011-03-12 /pmc/articles/PMC3099866/ /pubmed/21753949 http://dx.doi.org/10.1107/S1600536811007975 Text en © Herring et al. 2011 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 Herring, Jacob Zeller, Matthias Zaleski, Curtis M. Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)pentacopper(II) |
title | Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)pentacopper(II) |
title_full | Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)pentacopper(II) |
title_fullStr | Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)pentacopper(II) |
title_full_unstemmed | Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)pentacopper(II) |
title_short | Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)pentacopper(II) |
title_sort | bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-n,2-dioxidobenzene-1-carboximidato)pentacopper(ii) |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099866/ https://www.ncbi.nlm.nih.gov/pubmed/21753949 http://dx.doi.org/10.1107/S1600536811007975 |
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