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N,N,N,N′,N′,N′-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ(2) S (4),S (5))zincate
In the asymmetric unit of the title compound, (C(16)H(38)N(2)O(6))[Zn(C(3)S(5))(2)], two independent cations lie across inversion centers. In one of the cations, the three symmetry-unique O—H groups are disordered over two sets of sites with refined occupancy ratios of 0.701 (9):0.299 (9), 0.671 (8)...
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/PMC3772409/ https://www.ncbi.nlm.nih.gov/pubmed/24046552 http://dx.doi.org/10.1107/S1600536813014992 |
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author | Zhang, Xiulan Xie, Bin Zou, Like Wang, Jun Lin, Xiao |
author_facet | Zhang, Xiulan Xie, Bin Zou, Like Wang, Jun Lin, Xiao |
author_sort | Zhang, Xiulan |
collection | PubMed |
description | In the asymmetric unit of the title compound, (C(16)H(38)N(2)O(6))[Zn(C(3)S(5))(2)], two independent cations lie across inversion centers. In one of the cations, the three symmetry-unique O—H groups are disordered over two sets of sites with refined occupancy ratios of 0.701 (9):0.299 (9), 0.671 (8):0.329 (8) and 0.566 (7):0.434 (7). In the anion, the Zn(II) ion is coordinated in a distorted tetrahedral environment by four S atoms of two chelating 1,3-dithiole-2-thione-4,5-dithiolato ligands. The dihedral angle between the mean planes [maximun deviations = 0.022 (3) and 0.0656 (6) Å] of the two ligands is 87.76 (3)°. An intamolecular O—H⋯O hydrogen bond occurs in the disordered cation. In the crystal, O—H⋯O and O—H⋯S hydrogen bonds link the components into a two-dimensional network parallel to (0-11). |
format | Online Article Text |
id | pubmed-3772409 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37724092013-09-17 N,N,N,N′,N′,N′-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ(2) S (4),S (5))zincate Zhang, Xiulan Xie, Bin Zou, Like Wang, Jun Lin, Xiao Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the asymmetric unit of the title compound, (C(16)H(38)N(2)O(6))[Zn(C(3)S(5))(2)], two independent cations lie across inversion centers. In one of the cations, the three symmetry-unique O—H groups are disordered over two sets of sites with refined occupancy ratios of 0.701 (9):0.299 (9), 0.671 (8):0.329 (8) and 0.566 (7):0.434 (7). In the anion, the Zn(II) ion is coordinated in a distorted tetrahedral environment by four S atoms of two chelating 1,3-dithiole-2-thione-4,5-dithiolato ligands. The dihedral angle between the mean planes [maximun deviations = 0.022 (3) and 0.0656 (6) Å] of the two ligands is 87.76 (3)°. An intamolecular O—H⋯O hydrogen bond occurs in the disordered cation. In the crystal, O—H⋯O and O—H⋯S hydrogen bonds link the components into a two-dimensional network parallel to (0-11). International Union of Crystallography 2013-06-08 /pmc/articles/PMC3772409/ /pubmed/24046552 http://dx.doi.org/10.1107/S1600536813014992 Text en © Zhang 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 Zhang, Xiulan Xie, Bin Zou, Like Wang, Jun Lin, Xiao N,N,N,N′,N′,N′-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ(2) S (4),S (5))zincate |
title |
N,N,N,N′,N′,N′-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ(2)
S
(4),S
(5))zincate |
title_full |
N,N,N,N′,N′,N′-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ(2)
S
(4),S
(5))zincate |
title_fullStr |
N,N,N,N′,N′,N′-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ(2)
S
(4),S
(5))zincate |
title_full_unstemmed |
N,N,N,N′,N′,N′-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ(2)
S
(4),S
(5))zincate |
title_short |
N,N,N,N′,N′,N′-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ(2)
S
(4),S
(5))zincate |
title_sort | n,n,n,n′,n′,n′-hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ(2)
s
(4),s
(5))zincate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772409/ https://www.ncbi.nlm.nih.gov/pubmed/24046552 http://dx.doi.org/10.1107/S1600536813014992 |
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