邻苯二甲酸根桥联多核铜配位聚合物的合成与晶体结构(英文)

Synthesis and Crystal Structure of Phthalate Copper(Ⅱ) polymeric

合成了邻苯二甲酸根桥联多核铜的配位聚合物 {[Cu(Phth) (Phen) (H2 O) ]·(H2 O) }n,(Phth :邻苯二甲酸根二阶阴离子 ;Phen :1,10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C2 0 H1 6 CuN2 O6 ,Mr =44 3 .89,晶体属正交晶系 ,Pca2 1 ,a =1.115 9(3 )nm ,b =1.164 0 (2 )nm ,c=1.40 66(5 )nm ;Z =4,V =1.82 70 (9)nm3,F(0 0 0 ) =90 8,Dc=1.614mg .m- 3,μ =1.2 3 8mm- 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 .0 3 5 1,wR =0 .0 891,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 。

A phthalate copper(Ⅱ) polymeric has been synthesized, namely {\·(H 2O)} 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 Pca2 1 , 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) nm 3 ,F(000)=908,Dc=1.614 mg.m -3 , μ(M OK a) =1.238 mm -1 . The final R=0.035 1, wR(F 2 )=0.089 1 were based on 145 5 observed independent reflections with F 0 >4σ(F 0 ). 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.