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Synthesis and X-ray Crystal Structure of Bis(O-propylxanthato)-bis(3-chloropyridine)nickel(II)

机译:双(O-丙基黄原)-双(3-氯吡啶)镍(II)的合成及X射线晶体结构

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A six-coordinated Ni(II) complex, bis(O-propylxanthato)bis(3-chloropyridine)nickel(II), [Ni(C5H4NCl)2(S2COC3H7)2], has been synthesized by the reaction of bis(O-propylxanthato)nickel(II) with 3-chloropyridine in acetone. The structure of the title compound was elucidated by a single-crystal X-ray diffraction method. The compound crystallizes in the monoclinic space group P21/c with unit-cell parameters: a = 9.4079(1), b = 10.7323(2), c = 11.7498(2)Å and β = 96.443(1)°. The crystal structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R-value of 0.023 for 2064 observed reflections. The asymmetric unit comprises half a molecule and the nickel(II) cation lies on an inversion centre. The pyridine ring is coplanar, and is held almost perpendicular to the dithiocarbonato group. Molecules in the crystal are packed together to form layers, which appear to extend diagonally along the ac-plane.
机译:六配位的Ni(II)络合物,双( O -丙基黄原)双(3-氯吡啶)镍(II),[Ni(C 5 H 4 NCl) 2 (S 2 COC 3 H 7 2 2 1 / c 中结晶,其晶胞参数为: a = 9.4079 (1), b = 10.7323(2), c = 11.7498(2)Å,β = 96.443(1)°。通过直接方法解析晶体结构,并通过全矩阵最小二乘法将其精炼到2064次反射的最终 R 值为0.023。不对称单元包含半个分子,镍(II)阳离子位于反型中心。吡啶环是共面的,并保持几乎垂直于二硫代碳酸盐基团。晶体中的分子堆积在一起形成层,这些层似乎沿 ac 平面对角线延伸。

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