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[Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8
The structure of the title compound octakis{[4-(dimethylamino)pyridine](nitrosyl)[N,N′-(o-phenylene)bis(pyridine-2-carboxamidato)]manganese(II)} ethanol heptasolvate 3.5-hydrate, [Mn(C(18)H(12)N(4)O(2))(C(7)H(10)N(2))(NO)](8)·7C(2)H(5)OH·3.5H(2)O, or 8[Mn(bpb)(DMAP)(NO)]·7EtOH·3.5H(2)O, is a...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201327/ https://www.ncbi.nlm.nih.gov/pubmed/22058717 http://dx.doi.org/10.1107/S1600536811038669 |
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author | Olmstead, Marilyn M. Eroy-Reveles, A. Alegra Mascharak, Pradip K. |
author_facet | Olmstead, Marilyn M. Eroy-Reveles, A. Alegra Mascharak, Pradip K. |
author_sort | Olmstead, Marilyn M. |
collection | PubMed |
description | The structure of the title compound octakis{[4-(dimethylamino)pyridine](nitrosyl)[N,N′-(o-phenylene)bis(pyridine-2-carboxamidato)]manganese(II)} ethanol heptasolvate 3.5-hydrate, [Mn(C(18)H(12)N(4)O(2))(C(7)H(10)N(2))(NO)](8)·7C(2)H(5)OH·3.5H(2)O, or 8[Mn(bpb)(DMAP)(NO)]·7EtOH·3.5H(2)O, is an unusual example of a structure with Z′ = 8. The tetradentate bpb ligand, together with the nitrosyl and dimethylaminopyridine ligands, gives rise to a distorted octahedral coordination environment for the Mn(II) ion. The average Mn—N((N=O)) bond length is 1.631 (13) Å. The eight molecules in the asymmetric unit differ mainly in the rotation of the DMAP pyridine plane with respect to a reference plane of the Mn and three N atoms, one of which is the N atom of the NO group. The dihedral angles between the normals to these planes range from a minimum of 28.0 (2)° to a maximum of 64.2 (2)°. There are also some differences in O—H⋯O hydrogen bonding interactions. For example, of the sixteen C=O acceptors, there are seven different interactions with EtOH donors and two interactions with H(2)O donors. The crystal studied was found to be a two-component twin, with a 179.9° rotation about the real axis [−0.535, 0.004, 1.000]. Due to the presence of a superlattice and, consequently, the large number of weak reflections, the refinement utilized rigid solvate groups and isotropic displacement parameters for all except the Mn atoms. H atoms were not located for hydrate molecules. |
format | Online Article Text |
id | pubmed-3201327 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32013272011-11-06 [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8 Olmstead, Marilyn M. Eroy-Reveles, A. Alegra Mascharak, Pradip K. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The structure of the title compound octakis{[4-(dimethylamino)pyridine](nitrosyl)[N,N′-(o-phenylene)bis(pyridine-2-carboxamidato)]manganese(II)} ethanol heptasolvate 3.5-hydrate, [Mn(C(18)H(12)N(4)O(2))(C(7)H(10)N(2))(NO)](8)·7C(2)H(5)OH·3.5H(2)O, or 8[Mn(bpb)(DMAP)(NO)]·7EtOH·3.5H(2)O, is an unusual example of a structure with Z′ = 8. The tetradentate bpb ligand, together with the nitrosyl and dimethylaminopyridine ligands, gives rise to a distorted octahedral coordination environment for the Mn(II) ion. The average Mn—N((N=O)) bond length is 1.631 (13) Å. The eight molecules in the asymmetric unit differ mainly in the rotation of the DMAP pyridine plane with respect to a reference plane of the Mn and three N atoms, one of which is the N atom of the NO group. The dihedral angles between the normals to these planes range from a minimum of 28.0 (2)° to a maximum of 64.2 (2)°. There are also some differences in O—H⋯O hydrogen bonding interactions. For example, of the sixteen C=O acceptors, there are seven different interactions with EtOH donors and two interactions with H(2)O donors. The crystal studied was found to be a two-component twin, with a 179.9° rotation about the real axis [−0.535, 0.004, 1.000]. Due to the presence of a superlattice and, consequently, the large number of weak reflections, the refinement utilized rigid solvate groups and isotropic displacement parameters for all except the Mn atoms. H atoms were not located for hydrate molecules. International Union of Crystallography 2011-09-30 /pmc/articles/PMC3201327/ /pubmed/22058717 http://dx.doi.org/10.1107/S1600536811038669 Text en © Olmstead 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 Olmstead, Marilyn M. Eroy-Reveles, A. Alegra Mascharak, Pradip K. [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8 |
title | [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8 |
title_full | [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8 |
title_fullStr | [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8 |
title_full_unstemmed | [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8 |
title_short | [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8 |
title_sort | [mn(bpb)(dmap)(no)], an {mn–no}(6) nitrosyl with z′ = 8 |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201327/ https://www.ncbi.nlm.nih.gov/pubmed/22058717 http://dx.doi.org/10.1107/S1600536811038669 |
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