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Crystal structure of catena-poly[calcium-di-?3-benzoato-?(6) O,O':O-?2-(dimethyl sulfoxide)-?(2) O:O].

ABSTRACT: In the title complex, [Ca(C7H5O2)2(C2H6OS)] n , the Ca(2+) ion (site symmetry m..) is surrounded by eight O atoms, six from two bridging-chelating tridentate benzoate carboxyl groups and two from a bridging dimethyl sulfoxide mol-ecule (point group symmetry m..), giving an irregular coordination geometry [Ca-O bond length range = 2.345?(2)-2.524?(2)?Å]. One-dimensional coordination complex chains extending parallel to c are generated in which the triply ?2-O-bridged Ca(2+) cations are separated by 3.6401?(5)?Å. In the crystal, weak intra-chain C-H?? hydrogen bonds are present between the methyl H atoms of the dimethyl sulfoxide mol-ecules as donors and the aromatic rings as acceptors [C-H?Cg = 3.790?(4)?Å].

SUBMITTER: Voronova AS

PROVIDER: S-EPMC4571353 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of catena-poly[calcium-di-μ3-benzoato-κ(6) O,O':O-μ2-(dimethyl sulfoxide)-κ(2) O:O].

Voronova Anna S AS Petrusenko Svitlana R SR Goreshnik Evgeny E

Acta crystallographica. Section E, Crystallographic communications 20150708 Pt 8

In the title complex, [Ca(C7H5O2)2(C2H6OS)] n , the Ca(2+) ion (site symmetry m..) is surrounded by eight O atoms, six from two bridging-chelating tridentate benzoate carboxyl groups and two from a bridging dimethyl sulfoxide mol-ecule (point group symmetry m..), giving an irregular coordination geometry [Ca-O bond length range = 2.345 (2)-2.524 (2) Å]. One-dimensional coordination complex chains extending parallel to c are generated in which the triply μ2-O-bridged Ca(2+) cations are separated ...[more]

PMID: 26396752

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