| 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) |
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| 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Pc21b,晶体学常数a=10.699(2),b=17.436(5),c=20.680(2)Å.V=3847.1Å3,Z=4,F(000)=1736,Dc=1.77g·cm-3,.Mr=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2.333Å,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. |
| 关键词: 铈 噻吩甲酰三氟丙酮 晶体结构 |
| 基金项目: 国家自然科学基金资助项目 |
| Abstract: 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)Å, V=3847.1Å3, 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 2.365Å, the average value is 2.333Å; the average angle of Ce-O-Ce is 70.5°. Some thienyl rings and trifluoromethyl are set in the disorder states. |
| Keywords: cerium 1 1 1-trifluoro-3-2-2'-thenoylacetonato crystal structure |
| 投稿时间：1989-03-21 |
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| 王明昭,陈伯涛,王瑾玲,缪方明.噻吩甲酰三氟丙酮合铈(Ⅳ)的晶体结构和分子结构[J].无机化学学报,1991,7(4):461-464. |
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