N´-乙基-N-哌嗪基二硫代氨基甲酸钴(Ⅲ)配合物Co(S2CNC4H8NC2H5)3·3H2O的合成、表征及晶体结构

合成了标题化合物Co(S₂CNC₄H₈NC₂H₅)₃·3H₂O,得到黑色四棱柱状晶体。晶体属三方晶系, 空间群为R-3, 晶胞参数a=1.37700(19), b=1.37700(19), c=3.0090(6) nm, γ=120°, M_r=680.98, V= 4.9411(14) nm³, Z=6, D_c=1.373 g/cm³, F(000)=2160, R = 0.0510 和 wR = 0.1436。中心Co原子分别与来自三个N´-乙基-N-哌嗪基二硫代氨基甲酸的六个硫原子配位形成略微扭曲的八面体构型。六个Co-S键的键长范围在0.22682(13)~0.22703(14) nm, 热分析表明标题化合物在799.97°C完全分解。

Characterization and Crystal Structure of Tris(N′‐ethyl‐N‐piperazinyl‐carbodithioato‐s,s′)cobalt(III) Complex: Co(S2CNC4H8NC2H5)3·3H2O

The title compound has been prepared and characterized by elemental analyses, infrared and NMR spectra, and thermal analyses. The crystal and molecular structure of tris(N′‐ethyl‐N‐piperazinly‐carbodithioato‐s,s′)cobalt(III) complex, Co(S₂CNC₄H₈NC₂H₅)₃·3H₂O, was determined by X‐ray diffraction methods. The compound crystallizes in trigonal system, space group R‐3, with lattice parameters a=1.37700(19) nm, b=1.37700(19) nm, c=3.0090(6) nm, γ=120°, M_r=680.98, V=4.9411(14) nm³, Z=6, D_c=1.373 g/cm³, F(000)=2160, R=0.0510 and wR=0.1436. In the structure, central Co atom coordination geometry is slightly distorted octahedron with the six S atoms from the three bidentate S₂CNC₄H₈NC₂H₅ ligands. The octahedron is distorted resulting from forced configuration of the four‐membered chelate ring. The six Co? S bond distances are in the range of 0.22682(13)‐0.22703(14) nm. The IR and NMR spectral data are in agreement with the structural data. The thermal analytical data indicate that it decomposed completely at the temperature of 799.97 °C, leaving CoS.