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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...

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Autores principales: Moon, Dohyun, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
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.
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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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AT choijongha crystalstructureofbisoxalatok2o1o214811tetraazacyclotetradecanek4nchromiumiiidichromateoctahydratefromsynchrotronxraydata