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Crystal structure of tris(trans-1,2-cyclohexanediamine-κ(2) N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data
The structure of the title double salt, [Cr(rac-chxn)(3)][ZnCl(4)]Cl·3H(2)O (chxn is trans-1,2-cyclohexanediamine; C(6)H(14)N(2)), has been determined from synchrotron data. The Cr(III) ion is coordinated by six N atoms of three chelating chxn ligands, displaying a slightly distorted octahedral...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908525/ https://www.ncbi.nlm.nih.gov/pubmed/27308016 http://dx.doi.org/10.1107/S2056989016005788 |
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author | Moon, Dohyun Choi, Jong-Ha |
author_facet | Moon, Dohyun Choi, Jong-Ha |
author_sort | Moon, Dohyun |
collection | PubMed |
description | The structure of the title double salt, [Cr(rac-chxn)(3)][ZnCl(4)]Cl·3H(2)O (chxn is trans-1,2-cyclohexanediamine; C(6)H(14)N(2)), has been determined from synchrotron data. The Cr(III) ion is coordinated by six N atoms of three chelating chxn ligands, displaying a slightly distorted octahedral coordination environment. The distorted tetrahedral [ZnCl(4)](2−) anion, the isolated Cl(−) anion and three lattice water molecules remain outside the coordination sphere. The Cr—N(chxn) bond lengths are in a narrow range between 2.0737 (12) and 2.0928 (12) Å; the mean N—Cr—N bite angle is 82.1 (4)°. The crystal packing is stabilized by hydrogen-bonding interactions between the amino groups of the chxn ligands and the water molecules as donor groups, and O atoms of the water molecules, chloride anions and Cl atoms of the [ZnCl(4)](2−) anions as acceptor groups, leading to the formation of a three-dimensional network. The [ZnCl(4)](2−) anion is disordered over two sets of sites with an occupancy ratio of 0.94:0.06. |
format | Online Article Text |
id | pubmed-4908525 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49085252016-06-15 Crystal structure of tris(trans-1,2-cyclohexanediamine-κ(2) N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title double salt, [Cr(rac-chxn)(3)][ZnCl(4)]Cl·3H(2)O (chxn is trans-1,2-cyclohexanediamine; C(6)H(14)N(2)), has been determined from synchrotron data. The Cr(III) ion is coordinated by six N atoms of three chelating chxn ligands, displaying a slightly distorted octahedral coordination environment. The distorted tetrahedral [ZnCl(4)](2−) anion, the isolated Cl(−) anion and three lattice water molecules remain outside the coordination sphere. The Cr—N(chxn) bond lengths are in a narrow range between 2.0737 (12) and 2.0928 (12) Å; the mean N—Cr—N bite angle is 82.1 (4)°. The crystal packing is stabilized by hydrogen-bonding interactions between the amino groups of the chxn ligands and the water molecules as donor groups, and O atoms of the water molecules, chloride anions and Cl atoms of the [ZnCl(4)](2−) anions as acceptor groups, leading to the formation of a three-dimensional network. The [ZnCl(4)](2−) anion is disordered over two sets of sites with an occupancy ratio of 0.94:0.06. International Union of Crystallography 2016-04-12 /pmc/articles/PMC4908525/ /pubmed/27308016 http://dx.doi.org/10.1107/S2056989016005788 Text en © Moon and Choi 2016 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 | Research Communications Moon, Dohyun Choi, Jong-Ha Crystal structure of tris(trans-1,2-cyclohexanediamine-κ(2) N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data |
title | Crystal structure of tris(trans-1,2-cyclohexanediamine-κ(2)
N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data |
title_full | Crystal structure of tris(trans-1,2-cyclohexanediamine-κ(2)
N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data |
title_fullStr | Crystal structure of tris(trans-1,2-cyclohexanediamine-κ(2)
N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data |
title_full_unstemmed | Crystal structure of tris(trans-1,2-cyclohexanediamine-κ(2)
N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data |
title_short | Crystal structure of tris(trans-1,2-cyclohexanediamine-κ(2)
N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data |
title_sort | crystal structure of tris(trans-1,2-cyclohexanediamine-κ(2)
n,n′)chromium(iii) tetrachloridozincate chloride trihydrate from synchrotron data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908525/ https://www.ncbi.nlm.nih.gov/pubmed/27308016 http://dx.doi.org/10.1107/S2056989016005788 |
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