配位聚合物[Nd_2(C_2O_4)_3·4H_2O]_n的水热合成和晶体结构

Synthesis and Crystal Structure of Complex[Nd_2(C_2O_4)_3·4H_2O]_n

NdCl3.6H2O与4-羧基尿嘧啶于170℃水热反应96 h,得到配位聚合物[Nd2(C2O4)3.4H2O]n.用X-射线单晶衍射分析确定了其晶体结构.配合物属于正交晶系,P2(1)2(1)2(1)空间群.晶胞参数:a=0.85927(9)nm,b=0.94648(11)nm,c=1.68373(19)nm.M=624.60,V=1.3693(3)nm3,Z=4,Dcalc=3.030 Mg/m3,F(000)=1168.乙二酸根以双齿桥联/双齿桥联和双齿桥联/三齿桥联两种配位方式与Nd(Ⅲ)离子键合,形成网状结构.

The complex[ Nd2 （C2O4）3·4H2O]n was synthesized from orotic acid and The crystal structure of the complex was determined by X-ray single diffraction group P2（1）2（1）2（1） . Unit cell parameters are： a =0.85927（9） nm, b =0. NdCl3·6H2O by The unit cell is hydrothermal synthesis Orthorhombic with space 94648（11） nm, c = 1.68373（19） nm. M =624.60, V= 1.369 3 nm^3, Z = 4, Dcalc = 3.030 Mg/m^3. F（000） = 1 168. The Nd^3＋ ion is bonded to nine oxygen atoms from four orotic acid and two water molecules. The coordination number of the metal ion is nine. Nd atoms bridged by the oxalate groups in bidentate-bridging/ bidentate-bridging and bidentate-bridging/tridentate-bridging modes to form supramolecular structure.