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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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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/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.
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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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