高等学校化学学报

高等学校化学学报 ›› 1987, Vol. 8 ›› Issue (10): 937.

• 论文 • 上一篇    下一篇

原子簇化合物(Mo2FeS8O)[(C4H9)4N]3·HOCH2CH2OH的分子和晶体结构

杨光第1, 张致贵2   

  1. 1. 吉林大学理论化学研究所;
    2. 吉林大学化学系
  • 收稿日期:1986-05-23 出版日期:1987-10-24 发布日期:1987-10-24

Crystal and Molecular Structures of a Cluster Compound (Mo2FeS8O)[(C4H9)4N]3HOCH2CH3OH

Yang Guangdi1, Zhang Zhigui2   

  1. 1. Institute of Theoretical Chemistry of Jilin University, Changchun;
    2. Chemistry Department of Jilin University, Changchun
  • Received:1986-05-23 Online:1987-10-24 Published:1987-10-24

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摘要： 一定量的(NH4)2MoS4与FeCl3在乙二醇-乙二醇钠溶液中反应生成(Mo2FeS8O)[(C4H9)4N]3·HOCH2CH2OH。该化合物晶体属单斜晶系,空间群P21/c,α=16.889(6)Å,b=16.617(8)Å,c=24.527(9)Å,β=99.66(3)°,V=6785.62Å3,Z=4。用重原子法和Fourier叠代技术联用解出其晶体结构。并用块矩阵最小二乘法程序修正,最后R=0.066,Rw=0.06。与有关晶体结构比较发现由于HOCH2CH2OH分子的存在明显地改变了晶体的对称性。

Abstract: The title compound was synthesized by reacting certain amount of (NH4)2-MoS4with FeCl3in HOCH2CH2OH-NaOCH2CH2ONa solution. The cluster compound crystallizes in the monoclinic space group p21/c with α=16.889(6)Å, b=16.617(8)Å, c=24.527(9)Å, β=99.66(3)°, V=6785.62Å3, Z=4. The structure was solved by combining pattcrson function analysis and fourier iteration technique, and refined by using blocked-least-squares program up to the final R=0.066 Rw=0.06.Comparison with related structure shows that the presence of HOCH2CH2OH in the crystals changes its structural symmetry remarkably.

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