{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 3)"],"submitter":["Zhang LF"],"pubmed_abstract":["The title salt, poly[aqua-?(3)-oxalurato-potassium(I)], [K(C(3)H(3)N(2)O(4))(H(2)O)](n), which was obtained from a water solution of oxaluric acid and KOH at room temperature, crystallizes as potassium and oxalurate ions along with a water mol-ecule. The K(+) cation lies on a crystallographic twofold rotation axis (site symmetry 2, Wyckoff position f), and the water and oxalurate mol-ecules are located within different mirror planes (site symmetry m, Wyckoff position g). The K(+) cation is eight-coordinated by six O atoms of six oxalurate ligands and two O atoms from two water mol-ecules in a distorted square-anti-prismatic geometry. All of the eight coordinated O atoms are in a monodentate bridging mode, with alternate bridged K?K distances of 3.5575?(12) and 3.3738?(12)?Å. The oxalurate ligand shows a ?(3)-bridging coordination mode, which links the K(+) cation into a three-dimensional network. The oxalurate ligands and the water mol-ecules are involved in inter- and intra-molecular N-H?O, and O-H?O hydrogen bonds, which stabilize the network."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["m308-9"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2968634"],"repository":["biostudies-literature"],"pubmed_title":["Potassium oxalurate monohydrate."],"pmcid":["PMC2968634"],"pubmed_authors":["Zhang LF"],"additional_accession":[]},"is_claimable":false,"name":"Potassium oxalurate monohydrate.","description":"The title salt, poly[aqua-?(3)-oxalurato-potassium(I)], [K(C(3)H(3)N(2)O(4))(H(2)O)](n), which was obtained from a water solution of oxaluric acid and KOH at room temperature, crystallizes as potassium and oxalurate ions along with a water mol-ecule. The K(+) cation lies on a crystallographic twofold rotation axis (site symmetry 2, Wyckoff position f), and the water and oxalurate mol-ecules are located within different mirror planes (site symmetry m, Wyckoff position g). The K(+) cation is eight-coordinated by six O atoms of six oxalurate ligands and two O atoms from two water mol-ecules in a distorted square-anti-prismatic geometry. All of the eight coordinated O atoms are in a monodentate bridging mode, with alternate bridged K?K distances of 3.5575?(12) and 3.3738?(12)?Å. The oxalurate ligand shows a ?(3)-bridging coordination mode, which links the K(+) cation into a three-dimensional network. The oxalurate ligands and the water mol-ecules are involved in inter- and intra-molecular N-H?O, and O-H?O hydrogen bonds, which stabilize the network.","dates":{"release":"2009-01-01T00:00:00Z","publication":"2009 Feb","modification":"2021-02-28T08:30:08Z","creation":"2019-03-27T00:00:07Z"},"accession":"S-EPMC2968634","cross_references":{"pubmed":["21582086"],"doi":["10.1107/S1600536809005637"]}}