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Crystal structure of bis[bis(1,4,7-triazacyclononane-κ(3) N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data
The structure of the title compound, [Cr(tacn)(2)](2)[ZnCl(4)](3)·H(2)O (tacn is 1,4,7-triazacyclononane; C(6)H(15)N(3)), has been determined from synchrotron X-ray data. Each Cr(III) cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octahedral geometry....
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509691/ https://www.ncbi.nlm.nih.gov/pubmed/31161050 http://dx.doi.org/10.1107/S2056989019003086 |
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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 compound, [Cr(tacn)(2)](2)[ZnCl(4)](3)·H(2)O (tacn is 1,4,7-triazacyclononane; C(6)H(15)N(3)), has been determined from synchrotron X-ray data. Each Cr(III) cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octahedral geometry. Three distorted tetrahedral [ZnCl(4)](2−) anions and one lattice water molecule lie outside this coordination sphere. The Cr—N bond lengths are in the range 2.0621 (11) to 2.0851 (12) Å, while the mean inner N—Cr—N bond angle is 82.51 (5)°. The crystal packing is stabilized by hydrogen-bonding interactions with the N—H groups of the tacn ligands and the water O—H groups acting as donors, and the O atoms of the water molecules and Cl atoms of the [ZnCl(4)](2−) anions as acceptors. Overall these contacts lead to the formation of a three-dimensional network. |
format | Online Article Text |
id | pubmed-6509691 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-65096912019-06-03 Crystal structure of bis[bis(1,4,7-triazacyclononane-κ(3) N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title compound, [Cr(tacn)(2)](2)[ZnCl(4)](3)·H(2)O (tacn is 1,4,7-triazacyclononane; C(6)H(15)N(3)), has been determined from synchrotron X-ray data. Each Cr(III) cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octahedral geometry. Three distorted tetrahedral [ZnCl(4)](2−) anions and one lattice water molecule lie outside this coordination sphere. The Cr—N bond lengths are in the range 2.0621 (11) to 2.0851 (12) Å, while the mean inner N—Cr—N bond angle is 82.51 (5)°. The crystal packing is stabilized by hydrogen-bonding interactions with the N—H groups of the tacn ligands and the water O—H groups acting as donors, and the O atoms of the water molecules and Cl atoms of the [ZnCl(4)](2−) anions as acceptors. Overall these contacts lead to the formation of a three-dimensional network. International Union of Crystallography 2019-03-07 /pmc/articles/PMC6509691/ /pubmed/31161050 http://dx.doi.org/10.1107/S2056989019003086 Text en © Moon and Choi 2019 http://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.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Moon, Dohyun Choi, Jong-Ha Crystal structure of bis[bis(1,4,7-triazacyclononane-κ(3) N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data |
title | Crystal structure of bis[bis(1,4,7-triazacyclononane-κ(3)
N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data |
title_full | Crystal structure of bis[bis(1,4,7-triazacyclononane-κ(3)
N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data |
title_fullStr | Crystal structure of bis[bis(1,4,7-triazacyclononane-κ(3)
N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data |
title_full_unstemmed | Crystal structure of bis[bis(1,4,7-triazacyclononane-κ(3)
N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data |
title_short | Crystal structure of bis[bis(1,4,7-triazacyclononane-κ(3)
N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data |
title_sort | crystal structure of bis[bis(1,4,7-triazacyclononane-κ(3)
n,n′,n′′)chromium(iii)] tris(tetrachloridozincate) monohydrate from synchrotron x-ray data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509691/ https://www.ncbi.nlm.nih.gov/pubmed/31161050 http://dx.doi.org/10.1107/S2056989019003086 |
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