[Cu(Ⅱ)(phen)_2Cl](PA)的水热合成及其晶体结构(英文)

Synthesis of Coordination Complex [Cu(Ⅱ)(phen)_2Cl](PA) by Hydrothermal Method and its Crystal Structure

标题化合物 [Cu(phen) 2 Cl](PA)由CuCl2 ·2H2 O、邻菲咯啉 (phen)、苦味酸 (HPA)经水热反应得到。用元素分析、UV Vis、IR及X 射线衍射法表征。晶体结构用直接法解出 ,并用全矩阵最小二乘法进行修正。化学计量式C3 0 H18ClCuN7O7,Mr=6 87.5 1,晶体属于单斜晶系 ,空间群P1(# 2 ) ,晶胞参数 :a =7.5 0 0 2 (15 ) ,b =11.885 (2 ) ,c =15 .738(3) ,α =91.70 2 (4)、β =90 .35 7(4)、γ =10 4 .2 94 (4)° ,Z =1,Dc =1.6 80mg/m3 ,F(0 0 0 ) =6 98,偏离因子R=0 .0 5 91,wR =0 .15 39,共收集 2 92 1个衍射点 (I>2σ(I) )。一个结构单元中包含两个分子 ,分子内通过氢键和库仑力把配合物和三硝基苯酚连在一起 ,分子间通过氢键和π π相互作用堆积成二维层状结构。 4个N1个Cl与Cu原子以三角双锥配位。

The title compound [Cu(phen)_2Cl](PA) (PA=picrate)is synthesized with CuCl_2·2H_2O,phen and HPA(HPA=picric acid)by hydrothemal methods and characterized with Elemental Analysis,UV and IR spectra.It(C_(30)H_(18)ClCuN_7O_7,Mr=687.51)is crystallized in the monorhormbic system with space group P1(#2),a=7.5002(15),b=11.885(2),c=15.738(3)?,α=91.702(4).β=90.357(4),γ=104.294(4)°,Z=1,Dc=1.680Mg/m^3,F(000)=698.Structural deviation coefficients of R and wR are 0.0591 and 0.1539 respectively among 2921 observed reflections(I>2σ(I)).X-ray single-crystal diffraction reveals that the asymmetric unit of the coordination complex consists of a Cu(Ⅱ)ion,a Cl-ion,two phen molecules and one PA molecule.The center coordination molecule and the trinitrophenol molecule is linked by the weak interactions of hydrogen bonds and coulomb,meanwhile the above molecules are packed through the intermolecular hydrogen bonds and π-π interactions,through which the structue of bi-dimension layer is formed.A configuration of triangle dipyramidal is constructed with four N atoms and one Cl atom surrounding the center of Cu atom.