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Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) bis[tetrachloridozincate(II)]
The structure of the title compound, [CrCl(2)(C(10)H(24)N(4))][Cr(HCONH(2))(2)(C(10)H(24)N(4))][ZnCl(4)](2) (C(10)H(24)N(4) = 1,4,8,11-tetraazacyclotetradecane, cyclam; HCONH(2) = formamide, fa), has been determined from synchrotron X-ray data. The asymmetric unit contains two independent halves...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7199251/ https://www.ncbi.nlm.nih.gov/pubmed/32431927 http://dx.doi.org/10.1107/S2056989020004910 |
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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, [CrCl(2)(C(10)H(24)N(4))][Cr(HCONH(2))(2)(C(10)H(24)N(4))][ZnCl(4)](2) (C(10)H(24)N(4) = 1,4,8,11-tetraazacyclotetradecane, cyclam; HCONH(2) = formamide, fa), has been determined from synchrotron X-ray data. The asymmetric unit contains two independent halves of the [CrCl(2)(cyclam)](+) and [Cr(fa)(cyclam)](3+) cations, and one tetrachloridozincate anion. In each complex cation, the Cr(III) ion is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and two Cl ligands or two O-bonded formamide molecules in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(cyclam) bond lengths are in the range 2.061 (2) to 2.074 (2) Å, while the Cr—Cl and Cr—O(fa) bond distances are 2.3194 (7) and 1.9953 (19) Å, respectively. The macrocyclic cyclam moieties adopt the centrosymmetric trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH or CH groups of cyclam and the NH(2) group of coordinated formamide as donors, and Cl atoms of the ZnCl(4) (2−) anion as acceptors. |
format | Online Article Text |
id | pubmed-7199251 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-71992512020-05-19 Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) bis[tetrachloridozincate(II)] Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title compound, [CrCl(2)(C(10)H(24)N(4))][Cr(HCONH(2))(2)(C(10)H(24)N(4))][ZnCl(4)](2) (C(10)H(24)N(4) = 1,4,8,11-tetraazacyclotetradecane, cyclam; HCONH(2) = formamide, fa), has been determined from synchrotron X-ray data. The asymmetric unit contains two independent halves of the [CrCl(2)(cyclam)](+) and [Cr(fa)(cyclam)](3+) cations, and one tetrachloridozincate anion. In each complex cation, the Cr(III) ion is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and two Cl ligands or two O-bonded formamide molecules in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(cyclam) bond lengths are in the range 2.061 (2) to 2.074 (2) Å, while the Cr—Cl and Cr—O(fa) bond distances are 2.3194 (7) and 1.9953 (19) Å, respectively. The macrocyclic cyclam moieties adopt the centrosymmetric trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH or CH groups of cyclam and the NH(2) group of coordinated formamide as donors, and Cl atoms of the ZnCl(4) (2−) anion as acceptors. International Union of Crystallography 2020-04-09 /pmc/articles/PMC7199251/ /pubmed/32431927 http://dx.doi.org/10.1107/S2056989020004910 Text en © Moon and Choi 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Moon, Dohyun Choi, Jong-Ha Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) bis[tetrachloridozincate(II)] |
title | Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis[tetrachloridozincate(II)] |
title_full | Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis[tetrachloridozincate(II)] |
title_fullStr | Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis[tetrachloridozincate(II)] |
title_full_unstemmed | Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis[tetrachloridozincate(II)] |
title_short | Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis[tetrachloridozincate(II)] |
title_sort | crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
n)chromium(iii) bis(formamide-κo)(1,4,8,11-tetraazacyclotetradecane-κ(4)
n)chromium(iii) bis[tetrachloridozincate(ii)] |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7199251/ https://www.ncbi.nlm.nih.gov/pubmed/32431927 http://dx.doi.org/10.1107/S2056989020004910 |
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