[Hg(C5H4S5)I2]2的合成与晶体结构(C5H4S5 = 4,5-亚乙基二硫杂-1,3-二硫杂-2-硫酮)

用 HgI2 和 4,5-亚乙基二硫杂-1,3-二硫杂-2-硫酮 (C5H4S5)反应,合成一种二核汞配合物[Hg(C5H4S5)I2]2 1。X 射线衍射结果表明,晶体属于单斜晶系,C2/c 空间群,晶胞参数 a =21.6847(1),b = 8.5125(4),c = 15.6699(8),a=112.7850(1)°,V=2666.8(2) ?3。Mr = 1357.54,Z = 4,Dx = 3.381 g/cm3,ì = 16.913 cm–1,F(000) = 2400,R=0.0639,wR=0.1711,S=1.052。配合物 1 具有二聚体结构,2 个汞原子通过 2 个碘原子桥联,形成 1 个 Hg2I2菱形平面,汞原子周围的配位是四面体结构,通过分子间的硫…硫作用和碘…硫作用,形成准二维超分子网络。 S S S H g I I S S S S I I H g S

Synthesis and Crystal structure of [Hg(C5H4S5)I2]2 (C5H4S5 = 4,5-Ethylenedithio-1,3-dithiol-2-thione)

The reaction between HgI2 and 4,5-ethylenedithio-1,3-dithiol-2-thione (C5H4S5) resulted in a binuclear coordination compound [Hg(C5H4S5)I2]2 1 ([Hg(C5H4S5)I2]2, Mr = 1357.54) with a dimeric structure, and its structure has been determined by X-ray single-crystal diffraction analysis. Complex 1 crystallizes in mono- clinic, space group C2/c with a = 21.6847(1), b = 8.5125(4), c = 15.6699(8) , ?= 112.7850(1)? V = 2666.8(2) 3, Z = 4, Dx = 3.381 g/cm3, m = 16.913 cm1, F(000) = 2400, S = 1.052, the final R = 0.0639 and wR = 0.1711 for 1914 observed reflections with I > 2(I). The mercury atoms are four-coordinated in a distorted tetrahedral geometry by coordinating two bridging iodines, a terminal iodine and a thione S atom of C5H4S5. Through the sulfur-sulfur and sulfur-iodine interactions (3.650 and 3.704 ? respectively) between the adjacent molecules, a quasi two-dimensional supramolecular network is formed.