{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["71(Pt 11)"],"submitter":["Morales-Tapia AA"],"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."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["m197-8"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4645088"],"repository":["biostudies-literature"],"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]."],"pmcid":["PMC4645088"],"pubmed_authors":["Flores-Parra A","Colorado-Peralta R","Morales-Tapia AA","Rivera JM","Duarte-Hernandez AM"],"additional_accession":[]},"is_claimable":false,"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].","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.","dates":{"release":"2015-01-01T00:00:00Z","publication":"2015 Nov","modification":"2025-04-18T14:48:20.603Z","creation":"2019-03-26T22:33:10Z"},"accession":"S-EPMC4645088","cross_references":{"pubmed":["26594531"],"doi":["10.1107/S2056989015018344"]}}