(4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ2O4,O5)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ2O4,O5)bis(1,10-phenanthroline-κ2N,N′)gadolinium(III) dihydrate

(4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ2O4,O5)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ2O4,O5)bis(1,10-phenanthroline-κ2N,N′)gadolinium(III) dihydrate

The title compound, [Gd(C5H2N2O4)(C5H3N2O4)(C12H8N2)2]·2H2O, was obtained from a solvothermal reaction of 2,4-dihydroxypyrimidine-5-carboxylic acid (H3iso), GdCl3·6H2O and 1,10-phenanthroline (phen). The GdIII ion is located on a twofold rotation axis and is coordinated by four N a...

Full description

Bibliographic Details
Main Authors: Zilu Chen, Yan Su, Huihui Xing, Wei Xiong
Format: Article
Language:English
Published: International Union of Crystallography 2008-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536808025713
id doaj-620c6aa5f56441b594476f89946acfb6
record_format Article
spelling doaj-620c6aa5f56441b594476f89946acfb62020-11-24T22:23:19ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-09-01649m1168m116910.1107/S1600536808025713(4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ2O4,O5)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ2O4,O5)bis(1,10-phenanthroline-κ2N,N′)gadolinium(III) dihydrateZilu ChenYan SuHuihui XingWei XiongThe title compound, [Gd(C5H2N2O4)(C5H3N2O4)(C12H8N2)2]·2H2O, was obtained from a solvothermal reaction of 2,4-dihydroxypyrimidine-5-carboxylic acid (H3iso), GdCl3·6H2O and 1,10-phenanthroline (phen). The GdIII 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 H2iso− and Hiso2− 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.http://scripts.iucr.org/cgi-bin/paper?S1600536808025713
collection DOAJ
language English
format Article
sources DOAJ
author Zilu Chen
Yan Su
Huihui Xing
Wei Xiong
spellingShingle Zilu Chen
Yan Su
Huihui Xing
Wei Xiong
(4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ2O4,O5)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ2O4,O5)bis(1,10-phenanthroline-κ2N,N′)gadolinium(III) dihydrate
Acta Crystallographica Section E
author_facet Zilu Chen
Yan Su
Huihui Xing
Wei Xiong
author_sort Zilu Chen
title (4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ2O4,O5)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ2O4,O5)bis(1,10-phenanthroline-κ2N,N′)gadolinium(III) dihydrate
title_short (4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ2O4,O5)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ2O4,O5)bis(1,10-phenanthroline-κ2N,N′)gadolinium(III) dihydrate
title_full (4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ2O4,O5)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ2O4,O5)bis(1,10-phenanthroline-κ2N,N′)gadolinium(III) dihydrate
title_fullStr (4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ2O4,O5)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ2O4,O5)bis(1,10-phenanthroline-κ2N,N′)gadolinium(III) dihydrate
title_full_unstemmed (4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ2O4,O5)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ2O4,O5)bis(1,10-phenanthroline-κ2N,N′)gadolinium(III) dihydrate
title_sort (4-oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ2o4,o5)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ2o4,o5)bis(1,10-phenanthroline-κ2n,n′)gadolinium(iii) dihydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2008-09-01
description The title compound, [Gd(C5H2N2O4)(C5H3N2O4)(C12H8N2)2]·2H2O, was obtained from a solvothermal reaction of 2,4-dihydroxypyrimidine-5-carboxylic acid (H3iso), GdCl3·6H2O and 1,10-phenanthroline (phen). The GdIII 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 H2iso− and Hiso2− 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536808025713
work_keys_str_mv AT ziluchen 4oxido2oxo12dihydropyrimidine5carboxylato9542o4o54oxido2oxo12dihydropyrimidin3ium5carboxylato9542o4o5bis110phenanthroline9542nn8242gadoliniumiiidihydrate
AT yansu 4oxido2oxo12dihydropyrimidine5carboxylato9542o4o54oxido2oxo12dihydropyrimidin3ium5carboxylato9542o4o5bis110phenanthroline9542nn8242gadoliniumiiidihydrate
AT huihuixing 4oxido2oxo12dihydropyrimidine5carboxylato9542o4o54oxido2oxo12dihydropyrimidin3ium5carboxylato9542o4o5bis110phenanthroline9542nn8242gadoliniumiiidihydrate
AT weixiong 4oxido2oxo12dihydropyrimidine5carboxylato9542o4o54oxido2oxo12dihydropyrimidin3ium5carboxylato9542o4o5bis110phenanthroline9542nn8242gadoliniumiiidihydrate
_version_ 1725764867445489664

Similar Items