镉－硫氰酸根与铵－苯并15－冠－5配合物的合成与结构研究

用凝胶法生长了标题配合物［ＮＨ_４（Ｂ１５Ｃ５）_２］［Ｃｄ（ＳＣＮ）_３］的晶体，并对其进行了红外光谱，元素分析等各项物理性质的测试。经Ｘ射线单晶结构分析得到了配合物的全部晶体学数据：Ｍ_ｒ＝８４１．３１，正交晶系，空间群Ｐ２_１２_１２_１，晶胞常数ａ＝１０．９７０（３），ｂ＝２１．８３４（３），ｃ＝１５．５６３（４），Ｖ＝３７２７（３），Ｚ＝４，Ｄ_ｘ＝１．５０ｇ／ｃｍ￣３，Ｆ（０００）＝１７３６，μ＝７．０９ｃｍ￣（－１），Ｒ＝０．０７０，Ｒ_ｗ＝０．０６３。结构分析结果表明，配阳离子［ＮＨ_４（Ｂ１５Ｃ５）_２］￣＋和配阴离子［Ｃｄ（ＳＣＮ）_３］￣－间靠静电力结合成配合物。

Synthesis and Crystal Structural Study of[NH_4(B15CS)_2][Cd (SCN)_3]

The crystal of title compoundNH_4(B15C5)_2]Cd (SCN)_3](B15C5=Benzo-15-Crown-5),has been grown in a gel characterized by elemental analysis and infrared spectra.The molecular and crystal structure of the complex has been determined by X-ray diffraction.The structure of the crystal was solved by Patterson method and fourier synthesis,and was refined by full matrix least squares method to final descrepancy factors R=0.070 and R_w=0.063.The crystal belongs to orthorhombic space group P2_12_12_1 with cell parameters:a=10.970(3),b=21.834(3) c=15.563(4),V=3727(3),Z=4, D_x=1.50 g/cm￣3,μ=7.09cm￣(-1).The result of structure analysis of the complex indicates that the ammonium ion coordinates with two crown ethers and does not enter into the cavity of the crown ethers.The cadmium(Ⅱ) ion coordinates with six thiocyemates.The combination between two kinds of the coordina tion ions is due to electrostatic effect.