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Crystal structure of bis[(oxalato-κ(2) O (1),O (2))(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III)] dichromate octahydrate from synchrotron X-ray data
The asymmetric unit of the title compound, [Cr(C(2)O(4))(C(10)H(24)N(4))](2)[Cr(2)O(7)]·8H(2)O (C(10)H(24)N(4) = 1,4,8,11-tetraazacyclotetradecane, cyclam; C(2)O(4) = oxalate, ox) contains one [Cr(ox)(cyclam)](+) cation, one half of a dichromate anion that lies about an inversion centre so that...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2017
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347064/ https://www.ncbi.nlm.nih.gov/pubmed/28316819 http://dx.doi.org/10.1107/S2056989017002614 |
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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 compound, [Cr(C(2)O(4))(C(10)H(24)N(4))](2)[Cr(2)O(7)]·8H(2)O (C(10)H(24)N(4) = 1,4,8,11-tetraazacyclotetradecane, cyclam; C(2)O(4) = oxalate, ox) contains one [Cr(ox)(cyclam)](+) cation, one half of a dichromate anion that lies about an inversion centre so that the bridging O atom is equally disordered over two positions, and four water molecules. The terminal O atoms of the dichromate anion are also disordered over two positions with a refined occupancy ratio 0.586 (6):0.414 (6). The Cr(III) ion is coordinated by the four N atoms of the cyclam ligand and one bidentate oxalato ligand in a cis arrangement, resulting in a distorted octahedral geometry. The Cr—N(cyclam) bond lengths are in the range 2.069 (2)–2.086 (2) Å, while the average Cr—O(ox) bond length is 1.936 Å. The macrocyclic cyclam moiety adopts the cis-V conformation. The dichromate anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donors, and the O atoms of oxalate ligand, water molecules and the Cr(2)O(7) (2−) anion as acceptors, giving rise to a three-dimensional network. |
format | Online Article Text |
id | pubmed-5347064 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-53470642017-03-17 Crystal structure of bis[(oxalato-κ(2) O (1),O (2))(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III)] dichromate octahydrate from synchrotron X-ray data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, [Cr(C(2)O(4))(C(10)H(24)N(4))](2)[Cr(2)O(7)]·8H(2)O (C(10)H(24)N(4) = 1,4,8,11-tetraazacyclotetradecane, cyclam; C(2)O(4) = oxalate, ox) contains one [Cr(ox)(cyclam)](+) cation, one half of a dichromate anion that lies about an inversion centre so that the bridging O atom is equally disordered over two positions, and four water molecules. The terminal O atoms of the dichromate anion are also disordered over two positions with a refined occupancy ratio 0.586 (6):0.414 (6). The Cr(III) ion is coordinated by the four N atoms of the cyclam ligand and one bidentate oxalato ligand in a cis arrangement, resulting in a distorted octahedral geometry. The Cr—N(cyclam) bond lengths are in the range 2.069 (2)–2.086 (2) Å, while the average Cr—O(ox) bond length is 1.936 Å. The macrocyclic cyclam moiety adopts the cis-V conformation. The dichromate anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donors, and the O atoms of oxalate ligand, water molecules and the Cr(2)O(7) (2−) anion as acceptors, giving rise to a three-dimensional network. International Union of Crystallography 2017-02-17 /pmc/articles/PMC5347064/ /pubmed/28316819 http://dx.doi.org/10.1107/S2056989017002614 Text en © Moon and Choi 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/ |
spellingShingle | Research Communications Moon, Dohyun Choi, Jong-Ha Crystal structure of bis[(oxalato-κ(2) O (1),O (2))(1,4,8,11-tetraazacyclotetradecane-κ(4) N)chromium(III)] dichromate octahydrate from synchrotron X-ray data |
title | Crystal structure of bis[(oxalato-κ(2)
O
(1),O
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III)] dichromate octahydrate from synchrotron X-ray data |
title_full | Crystal structure of bis[(oxalato-κ(2)
O
(1),O
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III)] dichromate octahydrate from synchrotron X-ray data |
title_fullStr | Crystal structure of bis[(oxalato-κ(2)
O
(1),O
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III)] dichromate octahydrate from synchrotron X-ray data |
title_full_unstemmed | Crystal structure of bis[(oxalato-κ(2)
O
(1),O
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III)] dichromate octahydrate from synchrotron X-ray data |
title_short | Crystal structure of bis[(oxalato-κ(2)
O
(1),O
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
N)chromium(III)] dichromate octahydrate from synchrotron X-ray data |
title_sort | crystal structure of bis[(oxalato-κ(2)
o
(1),o
(2))(1,4,8,11-tetraazacyclotetradecane-κ(4)
n)chromium(iii)] dichromate octahydrate from synchrotron x-ray data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347064/ https://www.ncbi.nlm.nih.gov/pubmed/28316819 http://dx.doi.org/10.1107/S2056989017002614 |
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