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

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

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

硫氰酸合钪酸四丁基铵配合物[(C₄H₉)₄N]₃[Sc(NCS)₆]·3.5H₂O的合成及晶体结构

李标国¹,张毅¹,金天柱¹,黄春辉¹,徐光宪¹,韩玉真²,施倪承³

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

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，P_cab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[(Ｃ₄Ｈ₉)Ｎ]⁺组成离子型晶体。

关键词: 钪配合物, 晶体结构, 硫氰酸盐

CLC Number:

O766

LI Biaoguo,ZHANG Yi,JIN Tianzhu,HUANG Chunhui,XU Guangxian,HAN Yuzhen,SHI Nicheng. Synthesis and Crystal Structure of Tetrabutyl Ammonium Hexaisothiocyanato Scandium [(C₄H₉)₄N]₃[Sc(NCS)₆][J]. Acta Scientiarum Naturalium Universitatis Pekinensis.

李标国,张毅,金天柱,黄春辉,徐光宪,韩玉真,施倪承. 硫氰酸合钪酸四丁基铵配合物[(C₄H₉)₄N]₃[Sc(NCS)₆]·3.5H₂O的合成及晶体结构[J]. 北京大学学报（自然科学版）.

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

硫氰酸合钪酸四丁基铵配合物[(C₄H₉)₄N]₃[Sc(NCS)₆]·3.5H₂O的合成及晶体结构

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