Cargando…
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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1782215925439660032 |
---|---|
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)]. |
format | Online Article Text |
id | pubmed-3212131 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT tigyerbenjaminr dimacetatobisdimethylformamidepentakismn2dioxidobenzene1carboximidatotetrakis1ethylimidazolepentamanganeseiiimanganeseiidiethyletherdimethylforamidemethanolwater1111012 AT zellermatthias dimacetatobisdimethylformamidepentakismn2dioxidobenzene1carboximidatotetrakis1ethylimidazolepentamanganeseiiimanganeseiidiethyletherdimethylforamidemethanolwater1111012 AT zaleskicurtism dimacetatobisdimethylformamidepentakismn2dioxidobenzene1carboximidatotetrakis1ethylimidazolepentamanganeseiiimanganeseiidiethyletherdimethylforamidemethanolwater1111012 |