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Crystal structure of trans-diammine(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate chloride monohydrate from synchrotron data

The asymmetric unit of the title complex salt, [Cr(C(10)H(24)N(4))(NH(3))(2)][ZnCl(4)]Cl·H(2)O, is comprised of four halves of the Cr(III) complex cations (the counterparts being generated by application of inversion symmetry), two tetra­chlorido­zincate anions, two chloride anions and two water mol...

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Autores principales: Moon, Dohyun, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910319/
https://www.ncbi.nlm.nih.gov/pubmed/27375863
http://dx.doi.org/10.1107/S205698901600356X
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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 asymmetric unit of the title complex salt, [Cr(C(10)H(24)N(4))(NH(3))(2)][ZnCl(4)]Cl·H(2)O, is comprised of four halves of the Cr(III) complex cations (the counterparts being generated by application of inversion symmetry), two tetra­chlorido­zincate anions, two chloride anions and two water mol­ecules. Each Cr(III) ion is coordinated by the four N atoms of the cyclam (1,4,8,11-tetra­aza­cyclo­tetra­deca­ne) ligand in the equatorial plane and by two N atoms of ammine ligands in axial positions, displaying an overall distorted octa­hedral coordination environment. The Cr—N(cyclam) bond lengths range from 2.0501 (15) to 2.0615 (15) Å, while the Cr—(NH(3)) bond lengths range from 2.0976 (13) to 2.1062 (13) Å. The macrocyclic cyclam moieties adopt the trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The [ZnCl(4)](2−) anions have a slightly distorted tetra­hedral shape. In the crystal, the Cl(−) anions link the complex cations, as well as the solvent water mol­ecules, through N—H⋯Cl and O—H⋯Cl hydrogen-bonding inter­actions. The supra­molecular set-up also includes N—H⋯Cl, C—H⋯Cl, N—H⋯O and O—H⋯Cl hydrogen bonding between N—H or C—H groups of cyclam, ammine N—H and water O—H donor groups, and O atoms of the water mol­ecules, Cl(−) anions or Cl atoms of the [ZnCl(4)](2−) anions as acceptors, leading to a three-dimensional network structure.
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spelling pubmed-49103192016-07-01 Crystal structure of trans-diammine(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate chloride monohydrate from synchrotron data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title complex salt, [Cr(C(10)H(24)N(4))(NH(3))(2)][ZnCl(4)]Cl·H(2)O, is comprised of four halves of the Cr(III) complex cations (the counterparts being generated by application of inversion symmetry), two tetra­chlorido­zincate anions, two chloride anions and two water mol­ecules. Each Cr(III) ion is coordinated by the four N atoms of the cyclam (1,4,8,11-tetra­aza­cyclo­tetra­deca­ne) ligand in the equatorial plane and by two N atoms of ammine ligands in axial positions, displaying an overall distorted octa­hedral coordination environment. The Cr—N(cyclam) bond lengths range from 2.0501 (15) to 2.0615 (15) Å, while the Cr—(NH(3)) bond lengths range from 2.0976 (13) to 2.1062 (13) Å. The macrocyclic cyclam moieties adopt the trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The [ZnCl(4)](2−) anions have a slightly distorted tetra­hedral shape. In the crystal, the Cl(−) anions link the complex cations, as well as the solvent water mol­ecules, through N—H⋯Cl and O—H⋯Cl hydrogen-bonding inter­actions. The supra­molecular set-up also includes N—H⋯Cl, C—H⋯Cl, N—H⋯O and O—H⋯Cl hydrogen bonding between N—H or C—H groups of cyclam, ammine N—H and water O—H donor groups, and O atoms of the water mol­ecules, Cl(−) anions or Cl atoms of the [ZnCl(4)](2−) anions as acceptors, leading to a three-dimensional network structure. International Union of Crystallography 2016-03-04 /pmc/articles/PMC4910319/ /pubmed/27375863 http://dx.doi.org/10.1107/S205698901600356X Text en © Moon and Choi 2016 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 trans-diammine(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate chloride monohydrate from synchrotron data
title Crystal structure of trans-diammine(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate chloride monohydrate from synchrotron data
title_full Crystal structure of trans-diammine(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate chloride monohydrate from synchrotron data
title_fullStr Crystal structure of trans-diammine(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate chloride monohydrate from synchrotron data
title_full_unstemmed Crystal structure of trans-diammine(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate chloride monohydrate from synchrotron data
title_short Crystal structure of trans-diammine(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) tetra­chlorido­zincate chloride monohydrate from synchrotron data
title_sort crystal structure of trans-diammine(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) n)chromium(iii) tetra­chlorido­zincate chloride monohydrate from synchrotron data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910319/
https://www.ncbi.nlm.nih.gov/pubmed/27375863
http://dx.doi.org/10.1107/S205698901600356X
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