Synthesis and Crystal Structure of Bis（barbiturato） triwater Complex of Copper（II）
摘要
The crystal structure of the bis(barbiturato)triwater copper( Ⅱ ) complex formulated as Cu(barb)2(HO2)3 (barb = barbiturato) has been determined by single-crystal X-ray diffraction.The analysis was carried out by direct and Fourier methods and the structure was refined by full-matrix least-square computations. The title compound crystallizes in orthorhombic, space group Fdd2 with a = 11.691(1), b = 30.200(4), c = 7.1901(9) (A), V = 2538.7(5) (A)3, Z = 8,C8H12CuN4O9, Mr= 371.76, Dc = 1.945 g/cm3,μ(MoKα) = 1.781 mm-1, F(000) = 1512, the final R = 0.0347 and wR = 0.0766 for 827 observed reflections (Ⅰ＞ 2o(Ⅰ)). The copper atom is squarepyramidally bonded to the exocyclic oxygen atoms of the barbital anions (Cu-O, 1.976(3)) and the water molecules (Cu-O, 1.926(4) and 2.164(7)(A)). The molecules are held together to form an extensive three-dimensional network via O-H… O and N-H…O hydrogen-bonded contacts.