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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...

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Detalles Bibliográficos
Autores principales: Moon, Dohyun, Ryoo, Keon Sang, 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/PMC4420107/
https://www.ncbi.nlm.nih.gov/pubmed/25995875
http://dx.doi.org/10.1107/S205698901500746X
Descripción
Sumario: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.