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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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 |
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. |
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