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Crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate
The synthesis, crystal structure, and FT–IR data for the title compound, [Na(2)Mn(4)(C(2)H(2)ClO(2))(2)(C(7)H(4)NO(3))(4)(C(3)H(7)NO)(6)]·2C(3)H(7)NO or Na(2)(O(2)CCH(2)Cl)(2)[12-MC(Mn(III)) (N(shi))-4](DMF)(6)·2DMF, where MC is metallacrown, shi(3−) is salicylhydroximate, and DMF is N,N-dimethyl...
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/PMC4257439/ https://www.ncbi.nlm.nih.gov/pubmed/25552975 http://dx.doi.org/10.1107/S1600536814024441 |
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author | Daly, Connor I. Zeller, Matthias Zaleski, Curtis M. |
author_facet | Daly, Connor I. Zeller, Matthias Zaleski, Curtis M. |
author_sort | Daly, Connor I. |
collection | PubMed |
description | The synthesis, crystal structure, and FT–IR data for the title compound, [Na(2)Mn(4)(C(2)H(2)ClO(2))(2)(C(7)H(4)NO(3))(4)(C(3)H(7)NO)(6)]·2C(3)H(7)NO or Na(2)(O(2)CCH(2)Cl)(2)[12-MC(Mn(III)) (N(shi))-4](DMF)(6)·2DMF, where MC is metallacrown, shi(3−) is salicylhydroximate, and DMF is N,N-dimethylformamide, is reported. The macrocyclic metallacrown consists of an –[Mn(III)—N—O](4)– ring repeat unit and the metallacrown captures two Na(+) ions in the central cavity above and below the plane of the metallacrown. Each Na(+) ion is seven-coordinate and is bridged to two ring Mn(III) ions, through either a coordinating DMF molecule or a chloroacetate anion. The ring Mn(III) ions have either a tetragonally distorted octahedral geometry or a distorted square-pyramidal geometry. Weak C—H⋯O interactions, in addition to pure van der Waals forces, contribute to the overall packing of the molecules. The complete molecule has inversion symmetry and is disordered over two sets of sites with an occupancy ratio of 0.8783 (7):0.1217 (7). The solvent molecule is also disordered over two sets of sites, with an occupancy ratio of 0.615 (5):0.385 (5). |
format | Online Article Text |
id | pubmed-4257439 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42574392014-12-31 Crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate Daly, Connor I. Zeller, Matthias Zaleski, Curtis M. Acta Crystallogr Sect E Struct Rep Online Research Communications The synthesis, crystal structure, and FT–IR data for the title compound, [Na(2)Mn(4)(C(2)H(2)ClO(2))(2)(C(7)H(4)NO(3))(4)(C(3)H(7)NO)(6)]·2C(3)H(7)NO or Na(2)(O(2)CCH(2)Cl)(2)[12-MC(Mn(III)) (N(shi))-4](DMF)(6)·2DMF, where MC is metallacrown, shi(3−) is salicylhydroximate, and DMF is N,N-dimethylformamide, is reported. The macrocyclic metallacrown consists of an –[Mn(III)—N—O](4)– ring repeat unit and the metallacrown captures two Na(+) ions in the central cavity above and below the plane of the metallacrown. Each Na(+) ion is seven-coordinate and is bridged to two ring Mn(III) ions, through either a coordinating DMF molecule or a chloroacetate anion. The ring Mn(III) ions have either a tetragonally distorted octahedral geometry or a distorted square-pyramidal geometry. Weak C—H⋯O interactions, in addition to pure van der Waals forces, contribute to the overall packing of the molecules. The complete molecule has inversion symmetry and is disordered over two sets of sites with an occupancy ratio of 0.8783 (7):0.1217 (7). The solvent molecule is also disordered over two sets of sites, with an occupancy ratio of 0.615 (5):0.385 (5). International Union of Crystallography 2014-11-15 /pmc/articles/PMC4257439/ /pubmed/25552975 http://dx.doi.org/10.1107/S1600536814024441 Text en © Daly 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 | Research Communications Daly, Connor I. Zeller, Matthias Zaleski, Curtis M. Crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate |
title | Crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate |
title_full | Crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate |
title_fullStr | Crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate |
title_full_unstemmed | Crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate |
title_short | Crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate |
title_sort | crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-n,2-dioxidobenzene-1-carboximidato)tetramanganese(iii)disodium dimethylformamide disolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257439/ https://www.ncbi.nlm.nih.gov/pubmed/25552975 http://dx.doi.org/10.1107/S1600536814024441 |
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