二硫代酸镍的晶体和分子结构

M. Laing, P. Sommerville, P. Alsop
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引用次数: 18

摘要

利用标准薄膜技术采集的三维单晶x射线数据确定了原生二硫酸镍Ni(Hdz)2的结构,并通过最小二乘法对2580个观测和未观测反射的R= 0·12进行了细化。晶体呈三斜状,空间群P为a= 4.62, b= 10.99, c= 12.50±0.02 a, α= 88·8,β= 97·4,γ= 99·1±0.1°,Z= 1。该分子与镍原子中心对称,在一个方形平面环境中,通过一个氮原子和一个硫原子与每个双硫腙配体结合,形成一个与ni - s2·19和ni - n1·87 a的五元螯合环。找到了唯一的非苯基氢原子。
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Crystal and molecular structure of primary nickel dithizonate
The structure of primary nickel dithizonate Ni(Hdz)2 was determined from three-dimensional single-crystal X-ray data, collected by standard film techniques, and refined by the least-squares method to R= 0·12 for 2580 observed and unobserved reflections. The crystals are triclinic, space group P with a= 4·62, b= 10·99, c= 12·50 ± 0·02 A, α= 88·8, β= 97·4, γ= 99·1 ± 0·1°, and Z= 1. The molecule is centrosymmetric with the nickel atom in a square-planar environment bonded to each dithizone ligand through one nitrogen and one sulphur atom to give a five-membered chelate ring with Ni–S 2·19 and Ni–N 1·87 A. The unique non-phenyl hydrogen atom was located.
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