Cargando…

Crystal structure of bis­[trans-(ethane-1,2-di­amine-κ(2) N,N′)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data

The structure of the title compound, [Cr(NCS)(2)(C(2)H(8)N(2))(2)](2)[ZnCl(4)], has been determined from synchrotron data. In the asymmetric unit, there are four independent halves of the Cr(III) complex cations, each of which lies on an inversion centre, and one tetra­chlorido­zincate anion in a ge...

Descripción completa

Detalles Bibliográficos
Autores principales: Moon, Dohyun, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331884/
https://www.ncbi.nlm.nih.gov/pubmed/25705463
http://dx.doi.org/10.1107/S2056989014027479
_version_ 1782357802033872896
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(NCS)(2)(C(2)H(8)N(2))(2)](2)[ZnCl(4)], has been determined from synchrotron data. In the asymmetric unit, there are four independent halves of the Cr(III) complex cations, each of which lies on an inversion centre, and one tetra­chlorido­zincate anion in a general position. The Cr(III) atoms are coordinated by the four N atoms of two ethane-1,2-di­amine (en) ligands in the equatorial plane and two N-bound NCS(−) anions in a trans arrangement, displaying a slightly distorted octa­hedral geometry with crystallographic inversion symmetry. The Cr—N(en) and Cr—N(NCS) bond lengths range from 2.0653 (10) to 2.0837 (10) Å and from 1.9811 (10) to 1.9890 (10) Å, respectively. The five-membered metalla-rings are in stable gauche conformations. The [ZnCl(4)](2−) anion has a distorted tetra­hedral geometry. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the en NH(2) or CH(2) groups as donors and chloride ligands of the anion and S atoms of NCS(−) ligands as acceptors.
format Online
Article
Text
id pubmed-4331884
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-43318842015-02-20 Crystal structure of bis­[trans-(ethane-1,2-di­amine-κ(2) N,N′)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title compound, [Cr(NCS)(2)(C(2)H(8)N(2))(2)](2)[ZnCl(4)], has been determined from synchrotron data. In the asymmetric unit, there are four independent halves of the Cr(III) complex cations, each of which lies on an inversion centre, and one tetra­chlorido­zincate anion in a general position. The Cr(III) atoms are coordinated by the four N atoms of two ethane-1,2-di­amine (en) ligands in the equatorial plane and two N-bound NCS(−) anions in a trans arrangement, displaying a slightly distorted octa­hedral geometry with crystallographic inversion symmetry. The Cr—N(en) and Cr—N(NCS) bond lengths range from 2.0653 (10) to 2.0837 (10) Å and from 1.9811 (10) to 1.9890 (10) Å, respectively. The five-membered metalla-rings are in stable gauche conformations. The [ZnCl(4)](2−) anion has a distorted tetra­hedral geometry. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the en NH(2) or CH(2) groups as donors and chloride ligands of the anion and S atoms of NCS(−) ligands as acceptors. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331884/ /pubmed/25705463 http://dx.doi.org/10.1107/S2056989014027479 Text en © Moon and Choi 2015 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 bis­[trans-(ethane-1,2-di­amine-κ(2) N,N′)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title Crystal structure of bis­[trans-(ethane-1,2-di­amine-κ(2) N,N′)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title_full Crystal structure of bis­[trans-(ethane-1,2-di­amine-κ(2) N,N′)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title_fullStr Crystal structure of bis­[trans-(ethane-1,2-di­amine-κ(2) N,N′)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title_full_unstemmed Crystal structure of bis­[trans-(ethane-1,2-di­amine-κ(2) N,N′)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title_short Crystal structure of bis­[trans-(ethane-1,2-di­amine-κ(2) N,N′)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title_sort crystal structure of bis­[trans-(ethane-1,2-di­amine-κ(2) n,n′)bis­(thio­cyanato-κn)chromium(iii)] tetra­chlorido­zincate from synchrotron data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331884/
https://www.ncbi.nlm.nih.gov/pubmed/25705463
http://dx.doi.org/10.1107/S2056989014027479
work_keys_str_mv AT moondohyun crystalstructureofbistransethane12diaminek2nnbisthiocyanatoknchromiumiiitetrachloridozincatefromsynchrotrondata
AT choijongha crystalstructureofbistransethane12diaminek2nnbisthiocyanatoknchromiumiiitetrachloridozincatefromsynchrotrondata