Cargando…
Crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ(4) N)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data
The structure of the title compound, [Cr(NCS)(2)(cyclam)](2)[ZnCl(4)] (cyclam = 1,4,8,11-tetraazacyclotetradecane, C(10)H(24)N(4)), has been determined from synchrotron data. The asymmetric unit contains two independent halves of the Cr(III) complex cations and half of a tetrachloridozincate a...
Autores principales: | , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420107/ https://www.ncbi.nlm.nih.gov/pubmed/25995875 http://dx.doi.org/10.1107/S205698901500746X |
_version_ | 1782369671668826112 |
---|---|
author | Moon, Dohyun Ryoo, Keon Sang Choi, Jong-Ha |
author_facet | Moon, Dohyun Ryoo, Keon Sang Choi, Jong-Ha |
author_sort | Moon, Dohyun |
collection | PubMed |
description | The structure of the title compound, [Cr(NCS)(2)(cyclam)](2)[ZnCl(4)] (cyclam = 1,4,8,11-tetraazacyclotetradecane, C(10)H(24)N(4)), has been determined from synchrotron data. The asymmetric unit contains two independent halves of the Cr(III) complex cations and half of a tetrachloridozincate anion. In each complex cation, the Cr(III) atom is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and by two N-bound NCS(−) anions in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The mean Cr—N(cyclam) and Cr—N(NCS) bond lengths are 2.065 (4) and 1.995 (6) Å, respectively. The macrocyclic cyclam moieties adopt centrosymmetric trans-III configurations with six- and five-membered chelate rings in chair and gauche configurations, respectively. The [ZnCl(4)](2−) anion, which lies about a twofold rotation axis, has a slightly distorted tetrahedral geometry. The crystal packing is stabilized by hydrogen-bonding interactions between the N—H groups of the cyclam ligands, the S atoms of the NCS(−) groups and the Cl(−) ligands of the anion. |
format | Online Article Text |
id | pubmed-4420107 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44201072015-05-20 Crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ(4) N)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data Moon, Dohyun Ryoo, Keon Sang Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title compound, [Cr(NCS)(2)(cyclam)](2)[ZnCl(4)] (cyclam = 1,4,8,11-tetraazacyclotetradecane, C(10)H(24)N(4)), has been determined from synchrotron data. The asymmetric unit contains two independent halves of the Cr(III) complex cations and half of a tetrachloridozincate anion. In each complex cation, the Cr(III) atom is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and by two N-bound NCS(−) anions in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The mean Cr—N(cyclam) and Cr—N(NCS) bond lengths are 2.065 (4) and 1.995 (6) Å, respectively. The macrocyclic cyclam moieties adopt centrosymmetric trans-III configurations with six- and five-membered chelate rings in chair and gauche configurations, respectively. The [ZnCl(4)](2−) anion, which lies about a twofold rotation axis, has a slightly distorted tetrahedral geometry. The crystal packing is stabilized by hydrogen-bonding interactions between the N—H groups of the cyclam ligands, the S atoms of the NCS(−) groups and the Cl(−) ligands of the anion. International Union of Crystallography 2015-04-22 /pmc/articles/PMC4420107/ /pubmed/25995875 http://dx.doi.org/10.1107/S205698901500746X Text en © Moon et al. 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 Ryoo, Keon Sang Choi, Jong-Ha Crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ(4) N)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data |
title | Crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data |
title_full | Crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data |
title_fullStr | Crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data |
title_full_unstemmed | Crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data |
title_short | Crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data |
title_sort | crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ(4)
n)bis(thiocyanato-κn)chromium(iii)] tetrachloridozincate from synchrotron data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420107/ https://www.ncbi.nlm.nih.gov/pubmed/25995875 http://dx.doi.org/10.1107/S205698901500746X |
work_keys_str_mv | AT moondohyun crystalstructureofbistrans14811tetraazacyclotetradecanek4nbisthiocyanatoknchromiumiiitetrachloridozincatefromsynchrotrondata AT ryookeonsang crystalstructureofbistrans14811tetraazacyclotetradecanek4nbisthiocyanatoknchromiumiiitetrachloridozincatefromsynchrotrondata AT choijongha crystalstructureofbistrans14811tetraazacyclotetradecanek4nbisthiocyanatoknchromiumiiitetrachloridozincatefromsynchrotrondata |