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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...

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Detalles Bibliográficos
Autores principales: Daly, Connor I., Zeller, Matthias, Zaleski, Curtis M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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).
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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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AT zaleskicurtism crystalstructureofdimchloroacetatohexakisdimethylformamidetetrakismn2dioxidobenzene1carboximidatotetramanganeseiiidisodiumdimethylformamidedisolvate