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Crystal structure of cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) (oxalato-κ(2) O (1),O (2))(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) bis(perchlorate) from synchrotron data
In the asymmetric unit of the title compound, [CrCl(2)(C(10)H(24)N(4))][Cr(C(2)O(4))(C(10)H(24)N(4))](ClO(4))(2) (C(10)H(24)N(4) = 1,4,8,11-tetraazacyclotetradecane, cyclam; C(2)O(4) = oxalate, ox), there are two independent halves of the [CrCl(2)(cyclam)](+) and [Cr(ox)(cyclam)](+) cations, and...
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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/PMC5050767/ https://www.ncbi.nlm.nih.gov/pubmed/27746932 http://dx.doi.org/10.1107/S2056989016014134 |
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author | Moon, Dohyun Choi, Jong-Ha |
author_facet | Moon, Dohyun Choi, Jong-Ha |
author_sort | Moon, Dohyun |
collection | PubMed |
description | In the asymmetric unit of the title compound, [CrCl(2)(C(10)H(24)N(4))][Cr(C(2)O(4))(C(10)H(24)N(4))](ClO(4))(2) (C(10)H(24)N(4) = 1,4,8,11-tetraazacyclotetradecane, cyclam; C(2)O(4) = oxalate, ox), there are two independent halves of the [CrCl(2)(cyclam)](+) and [Cr(ox)(cyclam)](+) cations, and one perchlorate anion. In the complex cations, which are completed by application of twofold rotation symmetry, the Cr(III) ions are coordinated by the four N atoms of a cyclam ligand, and by two chloride ions or one oxalate bidentate ligand in a cis arrangement, displaying an overall distorted octahedral coordination environment. The Cr—N(cyclam) bond lengths are in the range of 2.075 (5) to 2.096 (4) Å while the Cr—Cl and Cr—O(ox) bond lengths are 2.3358 (14) and 1.956 (4) Å, respectively. Both cyclam moieties adopt the cis-V conformation. The slightly distorted tetrahedral ClO(4) (−) anion remains outside the coordination sphere. The supramolecular architecture includes N—H⋯O and N—H⋯Cl hydrogen bonding between cyclam NH donor groups, O atoms of the oxalate ligand or ClO(4) (−) anions and one Cl ligand as acceptors, leading to a three-dimensional network structure. |
format | Online Article Text |
id | pubmed-5050767 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-50507672016-10-14 Crystal structure of cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) (oxalato-κ(2) O (1),O (2))(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) bis(perchlorate) from synchrotron data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications In the asymmetric unit of the title compound, [CrCl(2)(C(10)H(24)N(4))][Cr(C(2)O(4))(C(10)H(24)N(4))](ClO(4))(2) (C(10)H(24)N(4) = 1,4,8,11-tetraazacyclotetradecane, cyclam; C(2)O(4) = oxalate, ox), there are two independent halves of the [CrCl(2)(cyclam)](+) and [Cr(ox)(cyclam)](+) cations, and one perchlorate anion. In the complex cations, which are completed by application of twofold rotation symmetry, the Cr(III) ions are coordinated by the four N atoms of a cyclam ligand, and by two chloride ions or one oxalate bidentate ligand in a cis arrangement, displaying an overall distorted octahedral coordination environment. The Cr—N(cyclam) bond lengths are in the range of 2.075 (5) to 2.096 (4) Å while the Cr—Cl and Cr—O(ox) bond lengths are 2.3358 (14) and 1.956 (4) Å, respectively. Both cyclam moieties adopt the cis-V conformation. The slightly distorted tetrahedral ClO(4) (−) anion remains outside the coordination sphere. The supramolecular architecture includes N—H⋯O and N—H⋯Cl hydrogen bonding between cyclam NH donor groups, O atoms of the oxalate ligand or ClO(4) (−) anions and one Cl ligand as acceptors, leading to a three-dimensional network structure. International Union of Crystallography 2016-09-09 /pmc/articles/PMC5050767/ /pubmed/27746932 http://dx.doi.org/10.1107/S2056989016014134 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 cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) (oxalato-κ(2) O (1),O (2))(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III) bis(perchlorate) from synchrotron data |
title | Crystal structure of cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) (oxalato-κ(2)
O
(1),O
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis(perchlorate) from synchrotron data |
title_full | Crystal structure of cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) (oxalato-κ(2)
O
(1),O
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis(perchlorate) from synchrotron data |
title_fullStr | Crystal structure of cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) (oxalato-κ(2)
O
(1),O
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis(perchlorate) from synchrotron data |
title_full_unstemmed | Crystal structure of cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) (oxalato-κ(2)
O
(1),O
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis(perchlorate) from synchrotron data |
title_short | Crystal structure of cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) (oxalato-κ(2)
O
(1),O
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III) bis(perchlorate) from synchrotron data |
title_sort | crystal structure of cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ(4)
n)chromium(iii) (oxalato-κ(2)
o
(1),o
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
n)chromium(iii) bis(perchlorate) from synchrotron data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050767/ https://www.ncbi.nlm.nih.gov/pubmed/27746932 http://dx.doi.org/10.1107/S2056989016014134 |
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