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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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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/PMC4459338/
https://www.ncbi.nlm.nih.gov/pubmed/26090142
http://dx.doi.org/10.1107/S2056989015009184
Descripción
Sumario: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.