二乙三胺五乙酸与镧铜异核配合物{[La_4Cu_9(DTPA)_6(H_2O)_(16)]·26H_2O}_n的晶体结构

Synthesis and Crystal Structure of Heteronuclear Lanthanum and Copper Complex with Diethylenetriaminepentaacetic Acid {[La_4Cu_9(DTPA)_6(H_2O)_(16)] 26H_2O}_n

在水溶液中合成了二乙三胺五乙酸与镧铜异核配合物兰色棱柱状晶体,用X射线衍射方法测定了配合物的晶体结构.其结构式为{[La_4Cu_9(DTPA)_6(H_2O)_(16)]·26H_2O}_n,DTPA为二乙三胺五乙酸根.晶体属三斜晶系,空间群为P(?)每一晶胞中有1个配合单元,形成网状结构,晶胞参数如下:a=1.5635(5),b=1.6496(6),c=1.7116(3)nm,α=89.07(2),β=73.91(2),γ=65.82(3)°,V=3.839nm^3,Ζ=1,D_(calc)=1.822g/cm^3,D_(ex)=1.831g/cm^3.配合物中镧离子有两种配位方式,配位数一种是8,另一种是9,其配位多面体分别为双冠和三冠三角棱柱体;铜离子也有两种配位方式,配位数一种是6,另一种是5,分别形成八面体和四方锥型配位多面体.

The title complex has been synthesized in aqueous solution. The crystal structure of the complex has been determined on a four- circle X - ray diffractometer. The crystal belongs to triclinic, spacegroupP1. The cell parameters are as follows : a = 1 . 5635(5) ,b = 1. 6469(6),c = 1.7116(3)nm, α= 89.07(2),β = 73.91(2), γ=65.82(3)°, V = 3.839nm3, Z = 1, Dcalc = 1.822g/cm3. In the crystal, there are two different kinds of coordination numbers for each of La (III) ion and Cu( II ) ions. The coordination number of one kind of La(III) ion is 8 and that of other kind of La(III) ion is 9, and their coordination polyhedron are dicapped and tricapped trigonal prisms, respectively; the coordination number of one kind of Cu(II) ion is 5 and that of the other kind of Cu( II ) ion is 6, forming a square pyramid and octahedron, respectively.