Acta Scientiarum Naturalium Universitatis Pekinensis

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Synthesis and Crystal Structure of Tetrabutyl Ammonium Hexaisothiocyanato Scandium [(C4H9)4N]3[Sc(NCS)6]

LI Biaoguo1, ZHANG Yi1, JIN Tianzhu1, HUANG Chunhui1, XU Guangxian1, HAN Yuzhen2, SHI Nicheng3   

  1. 1Research Centre of Rare Earth Chemistry, Peking University, Beijing, 100871; 2stitute of Physical Chemistry, Peking University, Beijing, 100871; 3University of Geoscience, China, Beijing, 100083
  • Received:1993-08-10 Online:1995-07-20 Published:1995-07-20



  1. 1北京大学稀土化学研究中心, 北京,100871;2北京大学物理化学研究所, 北京,100871;3中国地质大学,北京,100083

Abstract: The complex of tetrabutyl ammonium hexaisothiocyanato scandium has been synthesized. he crystal structure of [(C4H9)4N]3[Sc(NCS)6] has been determined by single crystal X-ray diffraction techniques with a fourcircle diffractometer to a final R value of 0.094. The crystal is orthorhombic with spacegroup Pcab. The unit cell parameters are: a=2.464(2), b=2.462(2), c=2.465(1)nm; Z=8, Dc=1.052g/cm3. The scandium ion is coordinated by sixnitrogen atoms from six isothiocyanate groups to form a complex anion, in wich the nitrogen atoms take a distorted octahedron arrangement. The each anion is counterbalanced by three [(C4H9)4N]+ cations in the outersphere of the complex through electrostatic attraction to form an ionic crystal.

Key words: scandium complex, crystal structure, isothiocyanate

摘要: 用X射线衍射法测定了所合成标题配合物的晶体结构。晶体属正交晶系,Pcab空间群。晶胞参数:a=2.464(2),b=2.462(2),c=2.465(1)nm;Z=8。配合物中,中心离子Sc3+与6个来自nCS-的氮原子配位,这6个氮位于八面体的6个顶角上,构成配阴离子Sc(Ncs)3-6,它以1:3的比例与3个[(C49)N]+组成离子型晶体。

关键词: 钪配合物, 晶体结构, 硫氰酸盐

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