六(2,4-二氯-5-氟苯甲酸根)二(邻菲咯啉)合二钕(Ⅲ)配合物的合成与晶体结构

Synthesis and crystal structure of Nd_2L_6(Phen)_2(HL=2,4-bichloride-5-fluorinate benzonic acid,Phen=Phenanthroline)

利用微波反应,一步获得Nd(Ⅲ)与2,4-二氯-5-氟苯甲酸根和邻菲咯啉形成的三元配合物Nd2L6(Phen)2(HL=2,4-二氯-5-氟苯甲酸,Phen=邻菲咯啉).经单晶X衍射显示该化合物为双核化合物(Nd2C66H28Cl12F6N4O12),配合物属三斜晶系,空间群为P1.晶体学参数:a=1.0570(9),b=1.2657(8),c=1.6808(4)nm;α=100.513(2)°,β=105.537(2)°,γ=109.335(1)°;F(000)=926,Z=1,V=1.9516(2)nm3,Dc=1.614g.cm-3,Mr=1896.80.最终结构偏离因子R=0.0975,Rw=0.1820;S=1.070.最终差值电子密度的最大值和最小值分别为1656nm-3和-770nm-3.

The complex Nd2L6 （Phen）2 （HL= 2,4-bichloride-5-fl uorinate benzonic acid, Phen = Phenanthroline） was obtained. A single-crystal X-ray study shows that the complex is a binuclear compound [Nd2 L6 （Phen）2] belonging to triclinic system with space group P1^-. The lattic constants： a= 1.057 0 （9）, b=1. 265 7（8）, c=1. 680 8（4） nm; α=100. 513（2）°, β=105. 537（2）°, γ=109. 335（1）°; F（000） =926, Z=1, Dc=1.614 g · cm^-3, V=1.951 6（2） nm^3, Mr=1 896.80, R=0.097 5, Rw=0. 182 0, S= 1.070; the largest diff peak and hole of electron density are 1 656 nm^-3 and --770 nm^-3 respectively.