邻苯二甲酸根桥联多核铜配位聚合物的合成与晶体结构

合成了邻苯二甲酸根桥联多核铜的配位聚合物{Cu(Phth)(Phen)(H2O)]*(H2O)}n,(Phth邻苯二甲酸根二阶阴离子;Phen1,10-邻菲咯啉),并得到了它的单晶.用X-射线单晶衍射法测定了配合物的晶体结构.晶体学数据如下经验式为C20H16CuN2O6 ,Mr=443.89,晶体属正交晶系,Pca21,a=1.115 9(3) nm,b=1.164 0(2) nm,c=1.406 6(5) nm;Z=4,V=1.827 0(9) nm3,F(000)=908,Dc=1.614 mg.m-3,μ=1.238 mm-1.晶体结构由直接法解出,数据用全矩阵最小二乘法进行修正,最终结构偏差因子R=0.035 1,wR=0.089 1,吻合因子S=0.991,晶体中每个Cu(Ⅱ)离子配位数为5,这5个配位原子形成一个畸变的四方锥结构,配合物分子通过邻苯二甲酸根桥联呈无限延伸的一维链状结构,配合物通过分子间氢键作用形成三维网状结构.

Synthesis and Crystal Structure of Phthalate Copper(Ⅱ) polymeric

A phthalate copper(Ⅱ) polymeric has been synthesized, namely {Cu(Phth)(Phen)(H2O)]*(H2O)}n, where Phth denotes phthalate and Phen denotes 1,10-phenanthroline. The crystal structure of the complex was determined by single crystal X-ray diffraction, the result of which shows that the complex crystallizes in orthorhombic with space group Pca21,a=1.115 9(3) nm,b=1.164 0(2) nm,c=1.406 6(5) nm,Z=4,V=1.827 0(9) nm3,F(000)=908,Dc=1.614 mg.m-3,μ(MOKa)=1.238 mm-1. The final R=0.035 1, wR(F2)=0.089 1 were based on 145 5 observed independent reflections with F0>4σ(F0). X-ray analysis revealed that the molecular is polymeric with extended phthalate bridges to form one-dimensional chain structure and that the copper(Ⅱ) ion is five-coordinated in a distorted square pyramid.