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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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)]. |
format | Online Article Text |
id | pubmed-3772425 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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