| Abstract: | A three-dimensional Cu2+ supramolecular complex Na2Cu(BTA)2(H2O)8]·H2O 1(H2BTA=bistetrazolylamine) was synthesized by reacting the aqueous solution of CuSO4·5H2O and H2BTA under stirring. The crystal structure of 1 was determined by single-crystal X-ray diffraction. The result indicates that 1 crystallizes in triclinic, space group P1, with a=7.0518(2), b =12.2692(2), c=13.8583(3)A, a=115.7260(10), β=93.2440(10),γ=98.3610(10)°, Mr=573.90,V=1059.01(4) A3, Z=2, Dc=1.800 g·cm-3,μ(MoKa)=1.155 mm-1, F(000)=586.0, S=1.074, the final R=0.0273 and wR=0.0744 for 4334 observed reflections with I > 2σ(I). The Cu2+ ion is five-coordinated with a N4O1 donor set with τ=0.153 according to the method of Addison et al. And the Na+ ions form an infinite main chain through bridging O atoms from coordinated water molecules. In 1, a three-dimensional supramolecular network is formed by O-H…O, O-H…N,N-H…O and N-H…N hydrogen bonds. |
