三氮唑配合物[Cu_2(CH_3COO)_4(C_4H_8N_4)_2]·2CH_3CN的合成及晶体结构(英文)

Synthese and Crystal Structure of a Triazole Complex Cu_2(CH_3COO)_4(C_4H_8N_4)_2·2CH_3CN

Cu(CH3COO)2 和4 氨基 3,5 二甲基 1,2,4 三氮唑反应制得标题化合物的单晶[Cu2(CH3COO)4(C4H8N4)2]·2CH3CN。晶体属三斜晶系 ,空间群 ,a=8.266(2),b=8.585(2),c=10.741(2) ,α=75.58(3),β=88.46(3),γ=86.35(3)°,V=736.7(3) 3 ,Z=1,Dc=1.509g·cm 3,F(000)=346,μ=1.502mm 1 。X 射线衍射结构分析表明 ,Cu2(CH3COO)4(C4H8N4)2 单元是中心对称的双核配合物 ,两个铜原子间距为2.698 。每个金属原子被围成四方锥的配位结构 ,四个乙酸根配体中最近的四个氧原子处在底面上[Cu O=1.965(3)～1.986(3) ] ,一个4 氨基 3,5 二甲基 1,2,4 三氮唑配体位于顶点位置Cu N=2.172 。

Single crystals of the new title compound [Cu2(CH3COO)4(C4H8N4)2]·2CH3CN are obtained from the reaction of Cu(CH3COO)2 and 4 amino 3,5 dimethyl 1,2,4 triazole. It crystallizes in the triclinic space group P1, with a = 8.266(2), b = 8.585(2), c = 10.741(2) ?, α= 75.58(3), β= 88.46(3), γ= 86.35(3)°, V = 736.7(3) ?3, Z = 1, Dc = 1.509 g·cm 3, F(000) = 346, μ= 1.502 mm 1. X ray crystal structure analysis revealed that Cu2(CH3COO)4(C4H8N4)2 unit is a crystallographically centrosymmetric binuclear complex, with Cu atoms distance Cu(1) Cu(1A) of 2.698 ?. Each metal atom is coordinated in a square pyramidal environment by four nearest oxygen atoms from four acetate ligands [Cu O = 1.965(3)～1.986(3)?] on the basal plane, and one 4 amino 3,5 dimethyl 1,2,4 triazole ligand at the apical position with Cu N = 2.172 ?.