(4-Oxido-2-oxo-1,2-dihydro­pyrimidine-5-carboxyl­ato-κ(2) O (4),O (5))(4-oxido-2-oxo-1,2-dihydro­pyrimidin-3-ium-5-carboxyl­ato-κ(2) O (4),O (5))bis­(1,10-phenanthroline-κ(2) N,N′)gadolinium(III) dihydrate

The title compound, [Gd(C(5)H(2)N(2)O(4))(C(5)H(3)N(2)O(4))(C(12)H(8)N(2))(2)]·2H(2)O, was obtained from a solvothermal reaction of 2,4-dihydroxy­pyrimidine-5-carboxylic acid (H(3)iso), GdCl(3)·6H(2)O and 1,10-phenanthroline (phen). The Gd(III) ion is located on a twofold rotation axis and is coordi...

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Detalles Bibliográficos
Autores principales: Xiong, Wei, Xing, Huihui, Su, Yan, Chen, Zilu
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Metal-Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960513/
https://www.ncbi.nlm.nih.gov/pubmed/21201615
http://dx.doi.org/10.1107/S1600536808025713
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author Xiong, Wei
Xing, Huihui
Su, Yan
Chen, Zilu
author_facet Xiong, Wei
Xing, Huihui
Su, Yan
Chen, Zilu
author_sort Xiong, Wei
collection PubMed
description The title compound, [Gd(C(5)H(2)N(2)O(4))(C(5)H(3)N(2)O(4))(C(12)H(8)N(2))(2)]·2H(2)O, was obtained from a solvothermal reaction of 2,4-dihydroxy­pyrimidine-5-carboxylic acid (H(3)iso), GdCl(3)·6H(2)O and 1,10-phenanthroline (phen). The Gd(III) ion is located on a twofold rotation axis and is coordinated by four N atoms from two chelating phen ligands and four O atoms (5-carboxyl­ate and 4-oxido O atoms) from H(2)iso(−) and Hiso(2−) ligands. The mol­ecules are linked into a three-dimensional network by N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds. The H atom involved in an N—H⋯N hydrogen bond is disordered around a twofold rotation axis with half occupancy.
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spelling pubmed-29605132010-12-30 (4-Oxido-2-oxo-1,2-dihydro­pyrimidine-5-carboxyl­ato-κ(2) O (4),O (5))(4-oxido-2-oxo-1,2-dihydro­pyrimidin-3-ium-5-carboxyl­ato-κ(2) O (4),O (5))bis­(1,10-phenanthroline-κ(2) N,N′)gadolinium(III) dihydrate Xiong, Wei Xing, Huihui Su, Yan Chen, Zilu Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, [Gd(C(5)H(2)N(2)O(4))(C(5)H(3)N(2)O(4))(C(12)H(8)N(2))(2)]·2H(2)O, was obtained from a solvothermal reaction of 2,4-dihydroxy­pyrimidine-5-carboxylic acid (H(3)iso), GdCl(3)·6H(2)O and 1,10-phenanthroline (phen). The Gd(III) ion is located on a twofold rotation axis and is coordinated by four N atoms from two chelating phen ligands and four O atoms (5-carboxyl­ate and 4-oxido O atoms) from H(2)iso(−) and Hiso(2−) ligands. The mol­ecules are linked into a three-dimensional network by N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds. The H atom involved in an N—H⋯N hydrogen bond is disordered around a twofold rotation axis with half occupancy. International Union of Crystallography 2008-08-16 /pmc/articles/PMC2960513/ /pubmed/21201615 http://dx.doi.org/10.1107/S1600536808025713 Text en © Xiong et al. 2008 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 Metal-Organic Papers
Xiong, Wei
Xing, Huihui
Su, Yan
Chen, Zilu
(4-Oxido-2-oxo-1,2-dihydro­pyrimidine-5-carboxyl­ato-κ(2) O (4),O (5))(4-oxido-2-oxo-1,2-dihydro­pyrimidin-3-ium-5-carboxyl­ato-κ(2) O (4),O (5))bis­(1,10-phenanthroline-κ(2) N,N′)gadolinium(III) dihydrate
title (4-Oxido-2-oxo-1,2-dihydro­pyrimidine-5-carboxyl­ato-κ(2) O (4),O (5))(4-oxido-2-oxo-1,2-dihydro­pyrimidin-3-ium-5-carboxyl­ato-κ(2) O (4),O (5))bis­(1,10-phenanthroline-κ(2) N,N′)gadolinium(III) dihydrate
title_full (4-Oxido-2-oxo-1,2-dihydro­pyrimidine-5-carboxyl­ato-κ(2) O (4),O (5))(4-oxido-2-oxo-1,2-dihydro­pyrimidin-3-ium-5-carboxyl­ato-κ(2) O (4),O (5))bis­(1,10-phenanthroline-κ(2) N,N′)gadolinium(III) dihydrate
title_fullStr (4-Oxido-2-oxo-1,2-dihydro­pyrimidine-5-carboxyl­ato-κ(2) O (4),O (5))(4-oxido-2-oxo-1,2-dihydro­pyrimidin-3-ium-5-carboxyl­ato-κ(2) O (4),O (5))bis­(1,10-phenanthroline-κ(2) N,N′)gadolinium(III) dihydrate
title_full_unstemmed (4-Oxido-2-oxo-1,2-dihydro­pyrimidine-5-carboxyl­ato-κ(2) O (4),O (5))(4-oxido-2-oxo-1,2-dihydro­pyrimidin-3-ium-5-carboxyl­ato-κ(2) O (4),O (5))bis­(1,10-phenanthroline-κ(2) N,N′)gadolinium(III) dihydrate
title_short (4-Oxido-2-oxo-1,2-dihydro­pyrimidine-5-carboxyl­ato-κ(2) O (4),O (5))(4-oxido-2-oxo-1,2-dihydro­pyrimidin-3-ium-5-carboxyl­ato-κ(2) O (4),O (5))bis­(1,10-phenanthroline-κ(2) N,N′)gadolinium(III) dihydrate
title_sort (4-oxido-2-oxo-1,2-dihydro­pyrimidine-5-carboxyl­ato-κ(2) o (4),o (5))(4-oxido-2-oxo-1,2-dihydro­pyrimidin-3-ium-5-carboxyl­ato-κ(2) o (4),o (5))bis­(1,10-phenanthroline-κ(2) n,n′)gadolinium(iii) dihydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960513/
https://www.ncbi.nlm.nih.gov/pubmed/21201615
http://dx.doi.org/10.1107/S1600536808025713
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