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Crystal structure of cis-aqua­chlorido­(rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate trihydrate from synchrotron data

The structure of the title compound, cis-[CrCl(cycb)(H(2)O)][ZnCl(4)]·3H(2)O (cycb is rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane; C(16)H(36)N(4)), has been determined from synchrotron data. In the complex cation, the Cr(III) ion is bound by four N atoms from the tetra­denta...

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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/PMC4555385/
https://www.ncbi.nlm.nih.gov/pubmed/26396846
http://dx.doi.org/10.1107/S2056989015015212
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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, cis-[CrCl(cycb)(H(2)O)][ZnCl(4)]·3H(2)O (cycb is rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane; C(16)H(36)N(4)), has been determined from synchrotron data. In the complex cation, the Cr(III) ion is bound by four N atoms from the tetra­dentate cycb ligand, a chloride ion and one water mol­ecule in a cis arrangement, displaying a distorted octa­hedral coordination geometry. The distorted tetra­hedral [ZnCl(4)](2−) anion and three additional water mol­ecules remain outside the coordination sphere. The Cr—N(cycb) bond lengths are in the range of 2.0837 (14) to 2.1399 (12) Å while the Cr—Cl and Cr—(OH(2)) bond lengths are 2.2940 (8) and 2.0082 (13) Å, respectively. The crystal packing is stabilized by hydrogen-bonding inter­actions between the N—H groups of the macrocyclic ligand, the O—H groups of the water mol­ecules and the Cl atoms of the tetra­chlorido­zincate anion, leading to the formation of a three-dimensional network.
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spelling pubmed-45553852015-09-22 Crystal structure of cis-aqua­chlorido­(rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate trihydrate from synchrotron data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title compound, cis-[CrCl(cycb)(H(2)O)][ZnCl(4)]·3H(2)O (cycb is rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane; C(16)H(36)N(4)), has been determined from synchrotron data. In the complex cation, the Cr(III) ion is bound by four N atoms from the tetra­dentate cycb ligand, a chloride ion and one water mol­ecule in a cis arrangement, displaying a distorted octa­hedral coordination geometry. The distorted tetra­hedral [ZnCl(4)](2−) anion and three additional water mol­ecules remain outside the coordination sphere. The Cr—N(cycb) bond lengths are in the range of 2.0837 (14) to 2.1399 (12) Å while the Cr—Cl and Cr—(OH(2)) bond lengths are 2.2940 (8) and 2.0082 (13) Å, respectively. The crystal packing is stabilized by hydrogen-bonding inter­actions between the N—H groups of the macrocyclic ligand, the O—H groups of the water mol­ecules and the Cl atoms of the tetra­chlorido­zincate anion, leading to the formation of a three-dimensional network. International Union of Crystallography 2015-08-22 /pmc/articles/PMC4555385/ /pubmed/26396846 http://dx.doi.org/10.1107/S2056989015015212 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 cis-aqua­chlorido­(rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate trihydrate from synchrotron data
title Crystal structure of cis-aqua­chlorido­(rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate trihydrate from synchrotron data
title_full Crystal structure of cis-aqua­chlorido­(rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate trihydrate from synchrotron data
title_fullStr Crystal structure of cis-aqua­chlorido­(rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate trihydrate from synchrotron data
title_full_unstemmed Crystal structure of cis-aqua­chlorido­(rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate trihydrate from synchrotron data
title_short Crystal structure of cis-aqua­chlorido­(rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate trihydrate from synchrotron data
title_sort crystal structure of cis-aqua­chlorido­(rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) n)chromium(iii) tetra­chlorido­zincate trihydrate from synchrotron data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555385/
https://www.ncbi.nlm.nih.gov/pubmed/26396846
http://dx.doi.org/10.1107/S2056989015015212
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