配合物[Cu(NIT-1'-MeBzIm)_2Cl_2]·4H_2O的合成及晶体结构

Synthesis and Crystal Structure of a New Copper(Ⅱ)-Nitronyl Nitroxide Complex

本文合成了一个新的配合物[Cu(NIT-1'-MeB zI m)2Cl2]·4H2O(NIT-1'-MeB zI m=2-{2'-[(1'-甲基)苯并咪唑]]}-4,4,5,5,-四甲基苯并咪唑-3-氧化-1-氧基自由基),并测定了其晶体结构.X衍射分析表明,该化合物的化学式为C30H46Cl2Cu N8O8,该晶体属单斜晶系,C2/c空间群,晶胞参数:a=17.353(5),b=21.083(6),c=11.978(3),α=90°,β=111.964(3)°,γ=90°,V=4064.0(19)3,Z=4,Dc=1.277 g/cm3,最终偏差因子R1=0.0786,wR2=0.2213(I>2σ(I)),F(000)=1636.中心金属Cu(Ⅱ)离子与两个自由基螯合配位,形成六配位的畸形八面体构型.

The title compound of [Cu（ NIT-1＇-Me BzI m）2Cl2]·4H2O was synthesized and characterized structurally by single crystal X-ray diffraction. The formula of this compound is C30H46Cl2 Cu N8O8,and this compound crystallizes in monoclinic system,space group C2 / c,with cell parameters： a = 17. 353（ 5） ,b = 21. 083（ 6）,c = 11. 978（ 3） ,α = 90°,β = 111. 964（ 3） °,γ = 90°,V = 4064. 0（ 19） 3,Z = 4,Dc = 1. 277 g / cm3. The final R value is R1= 0. 0786,wR2= 0. 2213（ I 2 σ（ I））,F（ 000） = 1636. The Cu（Ⅱ） ion is six-coordinated into a distorted octahedral geometry.