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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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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
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author Moon, Dohyun
Ryoo, Keon Sang
Choi, Jong-Ha
author_facet Moon, Dohyun
Ryoo, Keon Sang
Choi, Jong-Ha
author_sort Moon, Dohyun
collection PubMed
description 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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spelling pubmed-44201072015-05-20 Crystal structure of bis­[trans-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data Moon, Dohyun Ryoo, Keon Sang Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2015-04-22 /pmc/articles/PMC4420107/ /pubmed/25995875 http://dx.doi.org/10.1107/S205698901500746X Text en © Moon et al. 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
Ryoo, Keon Sang
Choi, Jong-Ha
Crystal structure of bis­[trans-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title Crystal structure of bis­[trans-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title_full Crystal structure of bis­[trans-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title_fullStr Crystal structure of bis­[trans-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title_full_unstemmed Crystal structure of bis­[trans-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title_short Crystal structure of bis­[trans-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data
title_sort crystal structure of bis­[trans-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) n)bis­(thio­cyanato-κn)chromium(iii)] tetra­chlorido­zincate from synchrotron data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420107/
https://www.ncbi.nlm.nih.gov/pubmed/25995875
http://dx.doi.org/10.1107/S205698901500746X
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