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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4555385 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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