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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....

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Autores principales: Moon, Dohyun, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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.
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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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