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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-4910319 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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