Synthesis and Crystal Structure of a Mixed Complex[Cu(1,10-phen)(CH_2(COO)_2)(H_2O)]_2·3H_2O
Wu Ming
Abstract
Wu Ming
Abstract
Blue block crystals of [Cu(1,10-phen)(CH_2(COO)_2)(H_2O)]_2·3H_2O were obtained at room temperature over a period from the filtrate which was resulted from the addition of a alcohol solution of 1,10-philolin into the filtered resultant of the reaction of basic cupric carbonate with aqueous propanioic acid. Single-crystal X-ray diffraction analysis indicates that it crystallizes in a triclinic system with space group P1- (No.2), a= 11.560(2),b = 11.750(2),c=12.510(3) A°,α=92.13(3)°,β=105.50(3)°,γ= 109.30(3)°,v=1530.6(5)A°~3,z=2,Mr=781.66,F(000) =800, D_c = 1.696 g/cm~3, μ(MoKα) = 1.467 mm~(-1), R = 0.0392, and wR_2 = 0.0967 for 4560 reflections with I 2.0σ(I). Each Cu atom is coordinated in a distorted square-pyramid geometry by two N atoms of 1,10-philolin, and two O atoms from two carboxyl group of propanioic acid, and one O atom from a coordination water molecule occupying the apical position with a long Cu-O distance. A dimer [Cu(1,10-phen)(CH_2(COO)_2)(H_2O)]_2 is formed by the inter-molecular hydrogen bonding. The crystal structure is formed by the interconnection of the dimers and crystal water molecules via hydrogen bonding.
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Blue block crystals of [Cu(1,10-phen)(CH_2(COO)_2)(H_2O)]_2·3H_2O were obtained at room temperature over a period from the filtrate which was resulted from the addition of a alcohol solution of 1,10-philolin into the filtered resultant of the reaction of basic cupric carbonate with aqueous propanioic acid. Single-crystal X-ray diffraction analysis indicates that it crystallizes in a triclinic system with space group P1- (No.2), a= 11.560(2),b = 11.750(2),c=12.510(3) A°,α=92.13(3)°,β=105.50(3)°,γ= 109.30(3)°,v=1530.6(5)A°~3,z=2,Mr=781.66,F(000) =800, D_c = 1.696 g/cm~3, μ(MoKα) = 1.467 mm~(-1), R = 0.0392, and wR_2 = 0.0967 for 4560 reflections with I 2.0σ(I). Each Cu atom is coordinated in a distorted square-pyramid geometry by two N atoms of 1,10-philolin, and two O atoms from two carboxyl group of propanioic acid, and one O atom from a coordination water molecule occupying the apical position with a long Cu-O distance. A dimer [Cu(1,10-phen)(CH_2(COO)_2)(H_2O)]_2 is formed by the inter-molecular hydrogen bonding. The crystal structure is formed by the interconnection of the dimers and crystal water molecules via hydrogen bonding.
Key concepts: Triclinic crystal system, Crystallography, Dimer, Hydrogen bond, Crystal structure, Molecule, Square pyramid, Chemistry