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μ(3)-Acetato-μ(2)-acetato-(di­methyl­form­amide)­penta­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­kis­(1-methyl-1H-imidazole)­penta­manganese(III)manganese(II)–diethyl ether–di­methyl­formamide–methanol–water (1/1/1/1/0.49)

The title compound, [Mn(6)(C(7)H(4)NO(3))(5)(CH(3)CO(2))(2)(C(4)H(6)N(2))(4.62)(C(3)H(7)NO)(1.38)]·(C(2)H(5))(2)O·C(3)H(7)NO·CH(3)OH·0.49H(2)O or Mn(II)(OAc)(2)[15-MC(Mn(III)N(shi))-5](Me—Im)(4.62)(DMF)(1.38)·diethyl ether·DMF·MeOH·0.49H(2)O (where MC is metallacrown, (−)OAc is acetate, shi(3−) is s...

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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 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772425/
https://www.ncbi.nlm.nih.gov/pubmed/24046568
http://dx.doi.org/10.1107/S1600536813015857
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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(4)H(6)N(2))(4.62)(C(3)H(7)NO)(1.38)]·(C(2)H(5))(2)O·C(3)H(7)NO·CH(3)OH·0.49H(2)O or Mn(II)(OAc)(2)[15-MC(Mn(III)N(shi))-5](Me—Im)(4.62)(DMF)(1.38)·diethyl ether·DMF·MeOH·0.49H(2)O (where MC is metallacrown, (−)OAc is acetate, shi(3−) is salicyl­hydroximate, Me—Im is 1-methyl­imidazole, DMF is N,N-di­methyl­formamide, and MeOH is methanol), is comprised of five Mn(III) ions in the metallacrown ring and an Mn(II) ion which is encapsulated in the central cavity. Four of the ring Mn(III) ions are six-coordinate with distorted octa­hedral geometries. Two of these Mn(III) ions have a planar configuration, while the other two Mn(III) have Λ absolute stereoconfiguration. The fifth Mn(III) is five-coordinated with distorted square-pyramidal geometry. Four of the ring Mn(III) ions each bind one 1-methyl­imidazole, while the final ring Mn(III) ion binds a DMF solvent mol­ecule in an axial position and located in a trans position is either a Me—Im or a DMF mol­ecule. The occupancy ratio of Me—Im to DMF is 0.62 (2) to 0.38 (2). The central Mn(II) is seven-coordinate with a geometry best described as distorted face-capped trigonal–prismatic. DMF, diethyl ether, MeOH, and water mol­ecules are located in the inter­stitial voids between the metallacrown mol­ecules. The methanol mol­ecule is positionally disordered [0.51 (1):0.49 (1)] and associated with a partially occupied water mol­ecule [0.49 (1)]. This disorder is also associated with the positional disorder of the diethyl ether mol­ecule [0.51 (1):0.49 (1)].
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spelling pubmed-37724252013-09-17 μ(3)-Acetato-μ(2)-acetato-(di­methyl­form­amide)­penta­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­kis­(1-methyl-1H-imidazole)­penta­manganese(III)manganese(II)–diethyl ether–di­methyl­formamide–methanol–water (1/1/1/1/0.49) 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(4)H(6)N(2))(4.62)(C(3)H(7)NO)(1.38)]·(C(2)H(5))(2)O·C(3)H(7)NO·CH(3)OH·0.49H(2)O or Mn(II)(OAc)(2)[15-MC(Mn(III)N(shi))-5](Me—Im)(4.62)(DMF)(1.38)·diethyl ether·DMF·MeOH·0.49H(2)O (where MC is metallacrown, (−)OAc is acetate, shi(3−) is salicyl­hydroximate, Me—Im is 1-methyl­imidazole, DMF is N,N-di­methyl­formamide, and MeOH is methanol), is comprised of five Mn(III) ions in the metallacrown ring and an Mn(II) ion which is encapsulated in the central cavity. Four of the ring Mn(III) ions are six-coordinate with distorted octa­hedral geometries. Two of these Mn(III) ions have a planar configuration, while the other two Mn(III) have Λ absolute stereoconfiguration. The fifth Mn(III) is five-coordinated with distorted square-pyramidal geometry. Four of the ring Mn(III) ions each bind one 1-methyl­imidazole, while the final ring Mn(III) ion binds a DMF solvent mol­ecule in an axial position and located in a trans position is either a Me—Im or a DMF mol­ecule. The occupancy ratio of Me—Im to DMF is 0.62 (2) to 0.38 (2). The central Mn(II) is seven-coordinate with a geometry best described as distorted face-capped trigonal–prismatic. DMF, diethyl ether, MeOH, and water mol­ecules are located in the inter­stitial voids between the metallacrown mol­ecules. The methanol mol­ecule is positionally disordered [0.51 (1):0.49 (1)] and associated with a partially occupied water mol­ecule [0.49 (1)]. This disorder is also associated with the positional disorder of the diethyl ether mol­ecule [0.51 (1):0.49 (1)]. International Union of Crystallography 2013-06-15 /pmc/articles/PMC3772425/ /pubmed/24046568 http://dx.doi.org/10.1107/S1600536813015857 Text en © Tigyer 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
Tigyer, Benjamin R.
Zeller, Matthias
Zaleski, Curtis M.
μ(3)-Acetato-μ(2)-acetato-(di­methyl­form­amide)­penta­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­kis­(1-methyl-1H-imidazole)­penta­manganese(III)manganese(II)–diethyl ether–di­methyl­formamide–methanol–water (1/1/1/1/0.49)
title μ(3)-Acetato-μ(2)-acetato-(di­methyl­form­amide)­penta­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­kis­(1-methyl-1H-imidazole)­penta­manganese(III)manganese(II)–diethyl ether–di­methyl­formamide–methanol–water (1/1/1/1/0.49)
title_full μ(3)-Acetato-μ(2)-acetato-(di­methyl­form­amide)­penta­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­kis­(1-methyl-1H-imidazole)­penta­manganese(III)manganese(II)–diethyl ether–di­methyl­formamide–methanol–water (1/1/1/1/0.49)
title_fullStr μ(3)-Acetato-μ(2)-acetato-(di­methyl­form­amide)­penta­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­kis­(1-methyl-1H-imidazole)­penta­manganese(III)manganese(II)–diethyl ether–di­methyl­formamide–methanol–water (1/1/1/1/0.49)
title_full_unstemmed μ(3)-Acetato-μ(2)-acetato-(di­methyl­form­amide)­penta­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­kis­(1-methyl-1H-imidazole)­penta­manganese(III)manganese(II)–diethyl ether–di­methyl­formamide–methanol–water (1/1/1/1/0.49)
title_short μ(3)-Acetato-μ(2)-acetato-(di­methyl­form­amide)­penta­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­kis­(1-methyl-1H-imidazole)­penta­manganese(III)manganese(II)–diethyl ether–di­methyl­formamide–methanol–water (1/1/1/1/0.49)
title_sort μ(3)-acetato-μ(2)-acetato-(di­methyl­form­amide)­penta­kis­(μ-n,2-dioxido­benzene-1-carboximidato)penta­kis­(1-methyl-1h-imidazole)­penta­manganese(iii)manganese(ii)–diethyl ether–di­methyl­formamide–methanol–water (1/1/1/1/0.49)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772425/
https://www.ncbi.nlm.nih.gov/pubmed/24046568
http://dx.doi.org/10.1107/S1600536813015857
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