{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["71(Pt 5)"],"submitter":["Alabada R"],"pubmed_abstract":["In the title coordination polymer, [Ba(C5HN2O6)(C2O4)0.5(H2O)2] n , the tenfold coordination of the Ba centre consists of four O atoms from the two 4-nitro-2,5,6-trioxo-1,2,5,6-tetra-hydro-pyridin-3-olate (L) anions, three O atoms of two oxalate anions and three water mol-ecules. The Ba-O bond lengths fall in the range 2.698 (3)-2.978 (3) Å. The L ligand chelates two Ba atoms related by a screw axis, leading to formation of fused five- and six-membered chelate rings. Due to the bridging function of the ligands and water mol-ecules, the complex monomers are connected into polymeric two-dimensional layers parallel to the bc plane. Inter-molecular O-H⋯O hydrogen bonds link these layers into a three-dimensional supra-molecular framework."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["459-62"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4420117"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure of poly[μ2-aqua-aqua-(μ2-4-nitro-2,5,6-trioxo-1,2,5,6-tetra-hydro-pyridin-3-olato)hemi-μ4-oxalato-barium(II)]."],"pmcid":["PMC4420117"],"pubmed_authors":["Kovalchukova O","Strashnova S","Alabada R","Polyakova I","Sergienko V"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure of poly[μ2-aqua-aqua-(μ2-4-nitro-2,5,6-trioxo-1,2,5,6-tetra-hydro-pyridin-3-olato)hemi-μ4-oxalato-barium(II)].","description":"In the title coordination polymer, [Ba(C5HN2O6)(C2O4)0.5(H2O)2] n , the tenfold coordination of the Ba centre consists of four O atoms from the two 4-nitro-2,5,6-trioxo-1,2,5,6-tetra-hydro-pyridin-3-olate (L) anions, three O atoms of two oxalate anions and three water mol-ecules. The Ba-O bond lengths fall in the range 2.698 (3)-2.978 (3) Å. The L ligand chelates two Ba atoms related by a screw axis, leading to formation of fused five- and six-membered chelate rings. Due to the bridging function of the ligands and water mol-ecules, the complex monomers are connected into polymeric two-dimensional layers parallel to the bc plane. Inter-molecular O-H⋯O hydrogen bonds link these layers into a three-dimensional supra-molecular framework.","dates":{"release":"2015-01-01T00:00:00Z","publication":"2015 May","modification":"2025-04-27T00:55:20.391Z","creation":"2019-03-27T01:51:01Z"},"accession":"S-EPMC4420117","cross_references":{"pubmed":["25995855"],"doi":["10.1107/S2056989015006520"]}}