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Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ(4) N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data
The crystal structure of the title complex, cis-[Cr(NCS)(2)(cyclam)]Br (cyclam = 1,4,8,11-tetraazacyclotetradecane, C(10)H(24)N(4)), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)(2)(cyclam)](+) cation and one bromide anion. The Cr(III) ion of the comp...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8061105/ https://www.ncbi.nlm.nih.gov/pubmed/33953940 http://dx.doi.org/10.1107/S2056989021001055 |
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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 crystal structure of the title complex, cis-[Cr(NCS)(2)(cyclam)]Br (cyclam = 1,4,8,11-tetraazacyclotetradecane, C(10)H(24)N(4)), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)(2)(cyclam)](+) cation and one bromide anion. The Cr(III) ion of the complex cation is coordinated by the four N atoms of the cyclam ligand and by two N-coordinating NCS groups in a cis arrangement, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.075 (3) to 2.081 (3) Å while the average Cr—N(NCS) bond length is 1.996 (16) Å. The macrocyclic cyclam moiety adopts the most stable cis-V conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups as donor groups, and the bromide anion and the S atom of one of the NCS ligands as acceptor groups. |
format | Online Article Text |
id | pubmed-8061105 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-80611052021-05-04 Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ(4) N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title complex, cis-[Cr(NCS)(2)(cyclam)]Br (cyclam = 1,4,8,11-tetraazacyclotetradecane, C(10)H(24)N(4)), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)(2)(cyclam)](+) cation and one bromide anion. The Cr(III) ion of the complex cation is coordinated by the four N atoms of the cyclam ligand and by two N-coordinating NCS groups in a cis arrangement, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.075 (3) to 2.081 (3) Å while the average Cr—N(NCS) bond length is 1.996 (16) Å. The macrocyclic cyclam moiety adopts the most stable cis-V conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups as donor groups, and the bromide anion and the S atom of one of the NCS ligands as acceptor groups. International Union of Crystallography 2021-02-02 /pmc/articles/PMC8061105/ /pubmed/33953940 http://dx.doi.org/10.1107/S2056989021001055 Text en © Moon and Choi 2021 https://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. |
spellingShingle | Research Communications Moon, Dohyun Choi, Jong-Ha Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ(4) N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data |
title | Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data |
title_full | Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data |
title_fullStr | Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data |
title_full_unstemmed | Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data |
title_short | Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data |
title_sort | crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ(4)
n)bis(thiocyanato-κn)chromium(iii) bromide from synchrotron x-ray diffraction data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8061105/ https://www.ncbi.nlm.nih.gov/pubmed/33953940 http://dx.doi.org/10.1107/S2056989021001055 |
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