噻吩甲酰三氟丙酮合铈(Ⅳ)的晶体结构和分子结构  

CRYSTAL AND MOLECULAR STRUCTURE OF TETRAKIS 1,1,1-TRIFLUORO-3-2-2'-THENOYLACETONATO WITH CERIUM(Ⅳ)

作　　者：王明昭[1] 陈伯涛[1] 王瑾玲[2] 缪方明[2] 

机构地区：[1]北京师范大学化学系,北京100875 [2]天津师范大学化学系,天津300074

出　　处：《无机化学学报》1991年第4期461-464,共4页Chinese Journal of Inorganic Chemistry

基　　金：国家自然科学基金资助项目

摘　　要：3-(2′-噻吩甲酰)-1,1,1-三氟丙酮(HTTA)与铈(Ⅳ)形成Ce(TTA)_4配合物.本文报道其实验及测定结果.晶格属正交晶系,空间群Pc2_1b,晶体学常数a=10.699(2),b=17.436(5),c=20.680(2)(?).V=3847.1(?)~3,Z=4,F(000)=1736,D_c=1.77g·cm^(-3),.M_r=1028.82,μ=15.20cm^(-1).CAD4衍射仪,Mo-Kα射线收集数据.结构由重原子法解出,全矩阵最小二乘法修正,各向同性热参数.偏离因子R=0.148.晶体中每个铈原子与四个TTA中的八个氧原子配位,其配位多面体为扭曲的四方反棱柱,铈(Ⅳ)处于四方反棱柱体的中心,Ce-O平均键长2.333(?),O-Ce-O平均键角70.5°,晶体中部分噻吩环与三氟甲基处于无序状态.The title complex Ce(TTA)4 was prepared by l,l,l-trifluoro-3-2-2'-thenoylacetonato (HTTA) with cerium(Ⅳ). The experiments and the crystal structure are reported now. The crystals are orthorombic, space group Pc21b (No.29) with a =10.669(2), b = 17.436(5), c=20.680(2)A, V= 3847.1 A3, Z=4, Dc=1.77g·cm-3,using the CAD4 diffractomctcr and MoKa diffraction. The crystal structure is determined by the Patterson and Fourier synthesis, Full-matrix least-square refinements, lead to the reliability factor R = 0.148. The cerium atom is coordinated with the eight oxygen atoms from the four TTA groups to form a coordination polyhedron of distorted square antiprism. The cerium (Ⅳ) set in the centre of the polyhedron. The bond lengths of the Ce-O are from 2.232 to 2.365 A, the average value is 2.333 A; the average angle of Ce-O-Ce is 70.5° . Some thienyl rings and trifluoromethyl are set in the disorder states.

关 键 词：铈配合物 噻吩甲酰 三氟丙酮 结构 

分 类 号：O614.332[理学—无机化学]