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Di-μ-acetato-bis­(dimethyl­formamide)­penta­kis­(μ-N,2-dioxidobenzene-1-car­boximidato)tetra­kis­(1-ethyl­imidazole)­penta­manganese(III)­manganese(II)–diethyl ether–dimethyl­foramide–methanol–water (1/1/1/1/0.12)

The title compound [Mn(6)(C(7)H(4)NO(3))(5)(CH(3)CO(2))(2)(C(5)H(8)N(2))(4)(C(3)H(7)NO)(2)]·(C(2)H(5))(2)O·C(3)H(7)NO·CH(3)OH·0.12H(2)O, abbreviated as Mn(II)(OAc)(2)[15-MC(MnIII(N)shi)-5](EtIm)4(DMF)2·diethyl ether·DMF·MeOH·0.12H(2)O (where (−)OAc is acetate, MC is metallacrown, shi(3−) is salicylh...

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Autores principales: Tigyer, Benjamin R., Zeller, Matthias, Zaleski, Curtis M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212131/
https://www.ncbi.nlm.nih.gov/pubmed/22090833
http://dx.doi.org/10.1107/S160053681102602X
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author Tigyer, Benjamin R.
Zeller, Matthias
Zaleski, Curtis M.
author_facet Tigyer, Benjamin R.
Zeller, Matthias
Zaleski, Curtis M.
author_sort Tigyer, Benjamin R.
collection PubMed
description The title compound [Mn(6)(C(7)H(4)NO(3))(5)(CH(3)CO(2))(2)(C(5)H(8)N(2))(4)(C(3)H(7)NO)(2)]·(C(2)H(5))(2)O·C(3)H(7)NO·CH(3)OH·0.12H(2)O, abbreviated as Mn(II)(OAc)(2)[15-MC(MnIII(N)shi)-5](EtIm)4(DMF)2·diethyl ether·DMF·MeOH·0.12H(2)O (where (−)OAc is acetate, MC is metallacrown, shi(3−) is salicylhydroximate, EtIM is n-ethylimidazole, DMF is N,N-dimethylformamide, and MeOH is methanol) contains five Mn(III) ions as members of the metallacrown ring and an Mn(II) ion bound in the central cavity. The central Mn(II) ion is seven-coordinate with a distorted face-capped trigonal–prismatic geometry. The five Mn(III) ions of the metallacrown ring are six-coordinate with distorted octa­hedral geometries. The configuration of the Mn(III) ions about the metallacrown ring follow a ΔΛΔPP pattern, with P representing planar. The four 1-ethyl­imidazole ligands are bound to four different Mn(III) ions. A diethyl ether solvent mol­ecule was found to be disordered over two mutually exclusive sites with an occupancy ratio of 0.568 (7):0.432 (7). A methanol solvent mol­ecule was found to be disordered over two mutually exclusive sites by being hydrogen bonded either to a dimethyl­formamide solvent mol­ecule (major occupancy component) or to an O atom of the main mol­ecule (minor occupancy component). The occupancy ratio refined to 0.678 (11):0.322 (11). Associated with the minor component is a partially occupied water mol­ecule [total occupancy 0.124 (15)].
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spelling pubmed-32121312011-11-16 Di-μ-acetato-bis­(dimethyl­formamide)­penta­kis­(μ-N,2-dioxidobenzene-1-car­boximidato)tetra­kis­(1-ethyl­imidazole)­penta­manganese(III)­manganese(II)–diethyl ether–dimethyl­foramide–methanol–water (1/1/1/1/0.12) Tigyer, Benjamin R. Zeller, Matthias Zaleski, Curtis M. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound [Mn(6)(C(7)H(4)NO(3))(5)(CH(3)CO(2))(2)(C(5)H(8)N(2))(4)(C(3)H(7)NO)(2)]·(C(2)H(5))(2)O·C(3)H(7)NO·CH(3)OH·0.12H(2)O, abbreviated as Mn(II)(OAc)(2)[15-MC(MnIII(N)shi)-5](EtIm)4(DMF)2·diethyl ether·DMF·MeOH·0.12H(2)O (where (−)OAc is acetate, MC is metallacrown, shi(3−) is salicylhydroximate, EtIM is n-ethylimidazole, DMF is N,N-dimethylformamide, and MeOH is methanol) contains five Mn(III) ions as members of the metallacrown ring and an Mn(II) ion bound in the central cavity. The central Mn(II) ion is seven-coordinate with a distorted face-capped trigonal–prismatic geometry. The five Mn(III) ions of the metallacrown ring are six-coordinate with distorted octa­hedral geometries. The configuration of the Mn(III) ions about the metallacrown ring follow a ΔΛΔPP pattern, with P representing planar. The four 1-ethyl­imidazole ligands are bound to four different Mn(III) ions. A diethyl ether solvent mol­ecule was found to be disordered over two mutually exclusive sites with an occupancy ratio of 0.568 (7):0.432 (7). A methanol solvent mol­ecule was found to be disordered over two mutually exclusive sites by being hydrogen bonded either to a dimethyl­formamide solvent mol­ecule (major occupancy component) or to an O atom of the main mol­ecule (minor occupancy component). The occupancy ratio refined to 0.678 (11):0.322 (11). Associated with the minor component is a partially occupied water mol­ecule [total occupancy 0.124 (15)]. International Union of Crystallography 2011-07-09 /pmc/articles/PMC3212131/ /pubmed/22090833 http://dx.doi.org/10.1107/S160053681102602X Text en © Tigyer 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
Tigyer, Benjamin R.
Zeller, Matthias
Zaleski, Curtis M.
Di-μ-acetato-bis­(dimethyl­formamide)­penta­kis­(μ-N,2-dioxidobenzene-1-car­boximidato)tetra­kis­(1-ethyl­imidazole)­penta­manganese(III)­manganese(II)–diethyl ether–dimethyl­foramide–methanol–water (1/1/1/1/0.12)
title Di-μ-acetato-bis­(dimethyl­formamide)­penta­kis­(μ-N,2-dioxidobenzene-1-car­boximidato)tetra­kis­(1-ethyl­imidazole)­penta­manganese(III)­manganese(II)–diethyl ether–dimethyl­foramide–methanol–water (1/1/1/1/0.12)
title_full Di-μ-acetato-bis­(dimethyl­formamide)­penta­kis­(μ-N,2-dioxidobenzene-1-car­boximidato)tetra­kis­(1-ethyl­imidazole)­penta­manganese(III)­manganese(II)–diethyl ether–dimethyl­foramide–methanol–water (1/1/1/1/0.12)
title_fullStr Di-μ-acetato-bis­(dimethyl­formamide)­penta­kis­(μ-N,2-dioxidobenzene-1-car­boximidato)tetra­kis­(1-ethyl­imidazole)­penta­manganese(III)­manganese(II)–diethyl ether–dimethyl­foramide–methanol–water (1/1/1/1/0.12)
title_full_unstemmed Di-μ-acetato-bis­(dimethyl­formamide)­penta­kis­(μ-N,2-dioxidobenzene-1-car­boximidato)tetra­kis­(1-ethyl­imidazole)­penta­manganese(III)­manganese(II)–diethyl ether–dimethyl­foramide–methanol–water (1/1/1/1/0.12)
title_short Di-μ-acetato-bis­(dimethyl­formamide)­penta­kis­(μ-N,2-dioxidobenzene-1-car­boximidato)tetra­kis­(1-ethyl­imidazole)­penta­manganese(III)­manganese(II)–diethyl ether–dimethyl­foramide–methanol–water (1/1/1/1/0.12)
title_sort di-μ-acetato-bis­(dimethyl­formamide)­penta­kis­(μ-n,2-dioxidobenzene-1-car­boximidato)tetra­kis­(1-ethyl­imidazole)­penta­manganese(iii)­manganese(ii)–diethyl ether–dimethyl­foramide–methanol–water (1/1/1/1/0.12)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212131/
https://www.ncbi.nlm.nih.gov/pubmed/22090833
http://dx.doi.org/10.1107/S160053681102602X
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