<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>71(Pt 11)</volume><submitter>Morales-Tapia AA</submitter><pubmed_abstract>In the title polymeric complex salt, {[Ni(C8H4NO2)(C10H8N2)(H2O)3](C8H4NO2)} n , the Ni(II) cation is coordinated by a 4-cyano-benzoate anion, two 4,4'-bi-pyridine ligands and three water mol-ecules in a distorted N2O4 octa-hedral geometry. The 4,4'-bi-pyridine ligands bridge the Ni(II) cations to form polymeric chains of the title complex cations, propagating along the c-axis direction. The dihedral angle between the pyridine rings of the 4,4'-bi-pyridine ligand is 24.9 (6)°. In the crystal, the uncoordinating 4-cyano-benzoate anions link with the complex cations via O-H⋯O hydrogen bonds into a three-dimensional supra-molecular architecture. Weak C-H⋯O, C-H⋯N inter-actions and π-π stacking [centroid-to-centroid distances = 3.566 (4) and 3.885 (4) Å] are also observed in the crystal.</pubmed_abstract><journal>Acta crystallographica. Section E, Crystallographic communications</journal><pagination>m197-8</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC4645088</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Crystal structure of catena-poly[[[tri-aqua-(4-cyano-benzoato-κO)nickel(II)]-μ-4,4'-bi-pyridine-κ(2) N:N'] 4-cyano-benzoate].</pubmed_title><pmcid>PMC4645088</pmcid><pubmed_authors>Flores-Parra A</pubmed_authors><pubmed_authors>Colorado-Peralta R</pubmed_authors><pubmed_authors>Morales-Tapia AA</pubmed_authors><pubmed_authors>Rivera JM</pubmed_authors><pubmed_authors>Duarte-Hernandez AM</pubmed_authors></additional><is_claimable>false</is_claimable><name>Crystal structure of catena-poly[[[tri-aqua-(4-cyano-benzoato-κO)nickel(II)]-μ-4,4'-bi-pyridine-κ(2) N:N'] 4-cyano-benzoate].</name><description>In the title polymeric complex salt, {[Ni(C8H4NO2)(C10H8N2)(H2O)3](C8H4NO2)} n , the Ni(II) cation is coordinated by a 4-cyano-benzoate anion, two 4,4'-bi-pyridine ligands and three water mol-ecules in a distorted N2O4 octa-hedral geometry. The 4,4'-bi-pyridine ligands bridge the Ni(II) cations to form polymeric chains of the title complex cations, propagating along the c-axis direction. The dihedral angle between the pyridine rings of the 4,4'-bi-pyridine ligand is 24.9 (6)°. In the crystal, the uncoordinating 4-cyano-benzoate anions link with the complex cations via O-H⋯O hydrogen bonds into a three-dimensional supra-molecular architecture. Weak C-H⋯O, C-H⋯N inter-actions and π-π stacking [centroid-to-centroid distances = 3.566 (4) and 3.885 (4) Å] are also observed in the crystal.</description><dates><release>2015-01-01T00:00:00Z</release><publication>2015 Nov</publication><modification>2025-04-18T14:48:20.603Z</modification><creation>2019-03-26T22:33:10Z</creation></dates><accession>S-EPMC4645088</accession><cross_references><pubmed>26594531</pubmed><doi>10.1107/S2056989015018344</doi></cross_references></HashMap>