[Cr(H_2O)_3(NCS)_3](18-冠-6)的分子和晶体结构

The Molecular and Crystal Structure of [Cr(H_2O)_3(NCS)_3] (18-crown-6)

与碱金属及碱土金属相比,过渡金属冠醚配合物的报道较少,但近年来这类研究已日益引起人们的兴趣。而其结构研究是一重要方面,就第一过渡系列的d区元素而言,仅有钒(Ⅳ),锰(Ⅱ)和钴(Ⅱ)的18-冠-6配合物的报道。从立体化学考虑,我们在研究了二价过渡金属离子后,又选择了条件相似的三价铬离子。本文报道标题配合物的单晶X射线结构分析,并基于分析结果,对分子的结构特点和晶胞中的堆积方式进行了讨论。

The title complex crystal belongs to orthorhombic system. Space group is Pomn with a=9.722(2), b=13.023(4), c=19.713(6)A, Z=4. The structure was solved by direct method and ΔF syntheses, and then refined by the full-matrix least-squares method. The final value of R is 0.064. The chromium (Ⅲ) ion coordinates with three isothiocyanates and three water molecules to form an octahedral complex unit, which combines with 18-crown-6 by hydrogen bonds to form the title complex.