<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>71(Pt 5)</volume><submitter>Alabada R</submitter><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.</pubmed_abstract><journal>Acta crystallographica. Section E, Crystallographic communications</journal><pagination>459-62</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC4420117</full_dataset_link><repository>biostudies-literature</repository><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)].</pubmed_title><pmcid>PMC4420117</pmcid><pubmed_authors>Kovalchukova O</pubmed_authors><pubmed_authors>Strashnova S</pubmed_authors><pubmed_authors>Alabada R</pubmed_authors><pubmed_authors>Polyakova I</pubmed_authors><pubmed_authors>Sergienko V</pubmed_authors></additional><is_claimable>false</is_claimable><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)].</name><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.</description><dates><release>2015-01-01T00:00:00Z</release><publication>2015 May</publication><modification>2025-04-27T00:55:20.391Z</modification><creation>2019-03-27T01:51:01Z</creation></dates><accession>S-EPMC4420117</accession><cross_references><pubmed>25995855</pubmed><doi>10.1107/S2056989015006520</doi></cross_references></HashMap>