应用化学 ›› 1986, Vol. 0 ›› Issue (6): 44-47.

• 研究论文 • 上一篇    下一篇

低温(CF3OCO)2NdCl•6EtOH晶体结构

金松春, 林永华, 金鹰泰, 李兴民, 孙玉芳   

  1. 中国科学院长春应用化学研究所
  • 收稿日期:1985-07-31 修回日期:1986-03-21 出版日期:1986-12-10 发布日期:1986-12-10
  • 通讯作者: 金松春

THE CRYSTAL STRUCTURE OF(CF3OCO)2 NdCl•6EtOH AT LOW TEMPERATURE

Jin Songchun, Lin Yonghua, Jin Yingtai, Li Xingmin, Sun Yufang   

  1. Chongchun Institute of Applied Chemistry, Academia Sinica
  • Received:1985-07-31 Revised:1986-03-21 Published:1986-12-10 Online:1986-12-10

摘要: 标题化合物晶体属于空间群P1,晶胞参数为:a=11.949(6)Å,b=12.886(5)Å,c=11.557(6)Å,α=112.93(3)°,β=115.92(4)°,γ=82.41(4)°。3739个独立衍射数据由四圆单晶衍射仪用低温技术收集。结构用SHELXTL程序重原子法解。结构参数经块矩阵最小二乘法修正后,最终的一致性因子R=0.113。结构分析表明,由氧原子构成钕的八配位稍歪扭的正方反梭柱体,平均Nd-o=2.453Å。

Abstract: The crystal of the title compound is triclinic with space group PI and a=11.949(6)Å, b=12.886(5)Å, c=11.557(6)Å, α=112.93(3)°, β=115.92(4)°, γ=82.41(4)°. Diffraction bata of 3739 independent reflections were collected on Nicolet XRD R3 four circle diffractometer using Mokα radiation. The crystal structure was solved by the heavy atom method and difference Fourier synthesis and refined by the block least square to a final R=0.113 based on 3019 unique reflections upon F0≥ 3σ(F0). the stru-cture analysis showed that the coordination of neodymium by oxygen atoms is eight-fold with a geometry of a slightly distorted square antiprism and average Nd-O bond length 2.453Å and O-Nd-O angle ranged from 69.3°to 147.4°