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catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2) O:O-bis(μ(2)-2,4,6-trinitrophenolato-κ(4) O (2),O (1):O (1),O (6))]
The asymmetric unit of the title barium coordination polymer, [Ba(C(6)H(2)N(3)O(7))(2)(C(2)H(6)OS)]( n ), consists of a barium cation (site symmetry m) and a dimethyl sulfoxide (DMSO) ligand (point group symmetry m) and a 2,4,6-trinitrophenolate anion located in general positions. The S atom and t...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462151/ https://www.ncbi.nlm.nih.gov/pubmed/36340015 http://dx.doi.org/10.1107/S2414314620014984 |
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author | Srinivasan, Bikshandarkoil R. Parsekar, Neha U. Narvekar, Kedar U. |
author_facet | Srinivasan, Bikshandarkoil R. Parsekar, Neha U. Narvekar, Kedar U. |
author_sort | Srinivasan, Bikshandarkoil R. |
collection | PubMed |
description | The asymmetric unit of the title barium coordination polymer, [Ba(C(6)H(2)N(3)O(7))(2)(C(2)H(6)OS)]( n ), consists of a barium cation (site symmetry m) and a dimethyl sulfoxide (DMSO) ligand (point group symmetry m) and a 2,4,6-trinitrophenolate anion located in general positions. The S atom and the methyl group of DMSO are disordered over two sets of sites. The DMSO ligand bridges a pair of Ba(II) atoms resulting in a chain extending parallel to the a axis. The unique 2,4,6-trinitrophenolate anion also bridges a pair of Ba(II) ions via the phenolic oxygen atom, with each Ba(II) being additionally bonded to an oxygen atom of an adjacent nitro group. The μ (2)-monoatomic bridging binding mode of both types of ligands results in the formation of an infinite chain of face-sharing {BaO(10)} polyhedra flanked by the remaining parts of the 2,4,6-trinitrophenolato and DMSO ligands. In the one-dimensional coordination polymer, parallel chains are interlinked with the aid of C—H⋯O hydrogen bonds. [Image: see text] |
format | Online Article Text |
id | pubmed-9462151 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-94621512022-11-04 catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2) O:O-bis(μ(2)-2,4,6-trinitrophenolato-κ(4) O (2),O (1):O (1),O (6))] Srinivasan, Bikshandarkoil R. Parsekar, Neha U. Narvekar, Kedar U. IUCrdata Data Reports The asymmetric unit of the title barium coordination polymer, [Ba(C(6)H(2)N(3)O(7))(2)(C(2)H(6)OS)]( n ), consists of a barium cation (site symmetry m) and a dimethyl sulfoxide (DMSO) ligand (point group symmetry m) and a 2,4,6-trinitrophenolate anion located in general positions. The S atom and the methyl group of DMSO are disordered over two sets of sites. The DMSO ligand bridges a pair of Ba(II) atoms resulting in a chain extending parallel to the a axis. The unique 2,4,6-trinitrophenolate anion also bridges a pair of Ba(II) ions via the phenolic oxygen atom, with each Ba(II) being additionally bonded to an oxygen atom of an adjacent nitro group. The μ (2)-monoatomic bridging binding mode of both types of ligands results in the formation of an infinite chain of face-sharing {BaO(10)} polyhedra flanked by the remaining parts of the 2,4,6-trinitrophenolato and DMSO ligands. In the one-dimensional coordination polymer, parallel chains are interlinked with the aid of C—H⋯O hydrogen bonds. [Image: see text] International Union of Crystallography 2020-11-13 /pmc/articles/PMC9462151/ /pubmed/36340015 http://dx.doi.org/10.1107/S2414314620014984 Text en © Srinivasan et al. 2020 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Srinivasan, Bikshandarkoil R. Parsekar, Neha U. Narvekar, Kedar U. catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2) O:O-bis(μ(2)-2,4,6-trinitrophenolato-κ(4) O (2),O (1):O (1),O (6))] |
title |
catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2)
O:O-bis(μ(2)-2,4,6-trinitrophenolato-κ(4)
O
(2),O
(1):O
(1),O
(6))] |
title_full |
catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2)
O:O-bis(μ(2)-2,4,6-trinitrophenolato-κ(4)
O
(2),O
(1):O
(1),O
(6))] |
title_fullStr |
catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2)
O:O-bis(μ(2)-2,4,6-trinitrophenolato-κ(4)
O
(2),O
(1):O
(1),O
(6))] |
title_full_unstemmed |
catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2)
O:O-bis(μ(2)-2,4,6-trinitrophenolato-κ(4)
O
(2),O
(1):O
(1),O
(6))] |
title_short |
catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2)
O:O-bis(μ(2)-2,4,6-trinitrophenolato-κ(4)
O
(2),O
(1):O
(1),O
(6))] |
title_sort | catena-poly[barium(ii)-μ(2)-(dimethyl sulfoxide)-κ(2)
o:o-bis(μ(2)-2,4,6-trinitrophenolato-κ(4)
o
(2),o
(1):o
(1),o
(6))] |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462151/ https://www.ncbi.nlm.nih.gov/pubmed/36340015 http://dx.doi.org/10.1107/S2414314620014984 |
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