Crystal Structure of a Three-dimensional Coordination Polymer {[Ca_3(μ_5-OOCCH_2OCH_2COO)_3(H_2O)_4]

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A novel three-dimensional coordination polymer, {[Ca3(μ5-OOCCH2OCH2COO)3(H2O)4]- 4H2O}n, has been synthesized with oxydiacetate as bridge ligand and structurally determined by X-ray crystallography. The crystal belongs to monoclinic, space group C2/c with a = 17.805(2), b = 9.3923(12), c = 17.255(2) A, β = 107.838(5)°, V = 2746.8(6) A3, Mr = 660.58, C12H28Ca3O23, Dc = 1.597 g/cm3, μ = 0.695 mm-1, Z = 4, F(000) = 1376, GOOF = 1.027, R = 0.0303 and wR = 0.0660. In the complex there are two coordination modes for Ca(II) ions, one coordinated by three μ5-OOCCH2OCH2COO2- bridge ligands together with two H2O molecules, and the other by five μ-5-OOCCH2OCH2COO2 bridge ligands. In both coordination modes each Ca(II) ion assumes a distorted dipentapyramidal CaO7 geometry; whereas each oxydiacetate is coordinated with five Ca(II) ions and acts as a pentdentates bridge ligand. A novel three-dimensional coordination polymer, {[Ca3 (μ5-OOCCH2OCH2COO) 3 (H2O) 4] -4H2O} n, has been synthesized with oxydiacetate as bridge ligand and structurally determined by X- Space group C2 / c with a = 17.805 (2), b = 9.3923 (12), c = 17.255 A, β = 107.838 (5) °, V = 2746.8 A3, Mr = 660.58, C12H28Ca3O23, D = 1.597 g / cm 3, μ = 0.695 mm -1, Z = 4, F (000) = 1376, GOOF = 1.027, R = 0.0303 and wR = 0.0660. ions, one coordinated by three μ5-OOCCH2OCH2COO2-bridge ligands together with two H2O molecules, and the other by five μ-5-OOCCH2OCH2COO2 bridge ligands. In both coordination modes each Ca (II) ion assumes a distorted dipentapyramidal CaO7 geometry; oxydiacetate is coordinated with five Ca (II) ions and acts as a pentdentates bridge ligand.
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