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Crystal structure of trans-bis(ethane-1,2-diamine-κ(2) N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data
The structure of the title compound, [Cr(NCS)(2)(C(2)H(8)N(2))(2)]ClO(4), has been determined from synchroton data. The asymmetric unit consists of one half of a centrosymmetric Cr(III) complex cation and half of a perchlorate anion with the Cl atom on a twofold rotation axis. The Cr(III) ion is coo...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459338/ https://www.ncbi.nlm.nih.gov/pubmed/26090142 http://dx.doi.org/10.1107/S2056989015009184 |
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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(NCS)(2)(C(2)H(8)N(2))(2)]ClO(4), has been determined from synchroton data. The asymmetric unit consists of one half of a centrosymmetric Cr(III) complex cation and half of a perchlorate anion with the Cl atom on a twofold rotation axis. The Cr(III) ion is coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound thiocyanate (NCS(−)) anions in a trans-axial arrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) bond lengths are in the range 2.053 (16)–2.09 (2) Å, while the Cr—N(thiocyanate) bond length is 1.983 (2) Å. The five-membered en rings are disordered over two sites, with occupancy ratios of 0.522 (16):0.478 (16). Each ClO(4) (−) anion is disordered over two sites with equal occupancy. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH(2) groups as donors and perchlorate O and thiocyanate S atoms as acceptors. |
format | Online Article Text |
id | pubmed-4459338 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44593382015-06-18 Crystal structure of trans-bis(ethane-1,2-diamine-κ(2) N,N′)bis(thiocyanato-κN)chromium(III) perchlorate 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)]ClO(4), has been determined from synchroton data. The asymmetric unit consists of one half of a centrosymmetric Cr(III) complex cation and half of a perchlorate anion with the Cl atom on a twofold rotation axis. The Cr(III) ion is coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound thiocyanate (NCS(−)) anions in a trans-axial arrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) bond lengths are in the range 2.053 (16)–2.09 (2) Å, while the Cr—N(thiocyanate) bond length is 1.983 (2) Å. The five-membered en rings are disordered over two sites, with occupancy ratios of 0.522 (16):0.478 (16). Each ClO(4) (−) anion is disordered over two sites with equal occupancy. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH(2) groups as donors and perchlorate O and thiocyanate S atoms as acceptors. International Union of Crystallography 2015-05-20 /pmc/articles/PMC4459338/ /pubmed/26090142 http://dx.doi.org/10.1107/S2056989015009184 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 trans-bis(ethane-1,2-diamine-κ(2) N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data |
title | Crystal structure of trans-bis(ethane-1,2-diamine-κ(2)
N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data |
title_full | Crystal structure of trans-bis(ethane-1,2-diamine-κ(2)
N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data |
title_fullStr | Crystal structure of trans-bis(ethane-1,2-diamine-κ(2)
N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data |
title_full_unstemmed | Crystal structure of trans-bis(ethane-1,2-diamine-κ(2)
N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data |
title_short | Crystal structure of trans-bis(ethane-1,2-diamine-κ(2)
N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data |
title_sort | crystal structure of trans-bis(ethane-1,2-diamine-κ(2)
n,n′)bis(thiocyanato-κn)chromium(iii) perchlorate from synchrotron data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459338/ https://www.ncbi.nlm.nih.gov/pubmed/26090142 http://dx.doi.org/10.1107/S2056989015009184 |
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