<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>68(Pt 1)</volume><submitter>Zhang BS</submitter><pubmed_abstract>In the title compound, {[Ca(C(7)H(4)FO(2))(2)(H(2)O)(2)]·0.5C(10)H(8)N(2)}(n), the Ca(II) atom is coordinated by eigth O atoms from four 2-fluoro-benzoate ligands and two water mol-ecules, resulting in a distorted CaO(8) square-anti-prismatic coordination environment. The 2-fluoro-benzoate ligand bridges two symmetry-related Ca(II) atoms, giving rise to a chain structure extending along [100]. The distances between the Ca atom and its two symmetry-related counterparts are 4.054?(2) and 4.106?(2)?Å. The polymeric chains are connected by classical O-H?N hydrogen bonds into a layer structure parallel to (010). The layers are connected by non-classical C-H?F hydrogen bonds into a three-dimensional supra-molecular structure. O-H?O and C-H?O inter-actions also occur. The uncoordinated 2,2'-bipyridine mol-ecule is located on a centre of symmetry at the mid-point of the bond between the two heterocycles. One of the two benzene rings is disordered over two sites with occupancy factors of 0.60 and 0.40.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>m55-6</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3254322</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>catena-Poly[[(diaqua-calcium)-bis-(?-2-fluorobenzoato)-1':1?O:O,O';1:1''?O,O':O] 2,2'-bipyridine hemi-solvate].</pubmed_title><pmcid>PMC3254322</pmcid><pubmed_authors>Zhang BS</pubmed_authors><pubmed_authors>Lin JL</pubmed_authors><pubmed_authors>Huang R</pubmed_authors><pubmed_authors>Luo LL</pubmed_authors><pubmed_authors>Jin XF</pubmed_authors></additional><is_claimable>false</is_claimable><name>catena-Poly[[(diaqua-calcium)-bis-(?-2-fluorobenzoato)-1':1?O:O,O';1:1''?O,O':O] 2,2'-bipyridine hemi-solvate].</name><description>In the title compound, {[Ca(C(7)H(4)FO(2))(2)(H(2)O)(2)]·0.5C(10)H(8)N(2)}(n), the Ca(II) atom is coordinated by eigth O atoms from four 2-fluoro-benzoate ligands and two water mol-ecules, resulting in a distorted CaO(8) square-anti-prismatic coordination environment. The 2-fluoro-benzoate ligand bridges two symmetry-related Ca(II) atoms, giving rise to a chain structure extending along [100]. The distances between the Ca atom and its two symmetry-related counterparts are 4.054?(2) and 4.106?(2)?Å. The polymeric chains are connected by classical O-H?N hydrogen bonds into a layer structure parallel to (010). The layers are connected by non-classical C-H?F hydrogen bonds into a three-dimensional supra-molecular structure. O-H?O and C-H?O inter-actions also occur. The uncoordinated 2,2'-bipyridine mol-ecule is located on a centre of symmetry at the mid-point of the bond between the two heterocycles. One of the two benzene rings is disordered over two sites with occupancy factors of 0.60 and 0.40.</description><dates><release>2012-01-01T00:00:00Z</release><publication>2012 Jan</publication><modification>2021-02-21T00:49:27Z</modification><creation>2019-03-27T00:01:10Z</creation></dates><accession>S-EPMC3254322</accession><cross_references><pubmed>22259354</pubmed><doi>10.1107/S1600536811053311</doi></cross_references></HashMap>