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用x射线衍射法测定了四核钼原子簇化合物Mo_4(μ_3-S)_3(μ_3-O)[μ-S_2P(OEt)_2]_3[S_2P(OEt)_3]的晶体结构。晶体属三种晶系。晶胞参数为a=13.387(3),b=13.997(4),c=16.281(3)(?),α=72.84(2)°,β=87.92(2)°,γ=84.87(2)°;z=2;空间群P(?)。由直接法(MULTAN—80)求得原子坐标。所有非氢原子坐标和热参数经全矩阵最小二乘方精修,最后偏离因子R=0.092。研究表明,在这一中性配位分子中,簇胳中心为[Mo_4S_3O]类立方烷构型,加上桥式和端式两种[S_2P(OEt)_2]~-配体,每个Mo原子周期都满足了畸变六配位八面体的要求。本文还讨论了两种[S_2P(OEt)_2]~-配体在结构参数上的差别。
The crystal structure of the tetragonal molybdenum atom cluster Mo_4 (μ_3-S) _3 (μ_3-O) [μ-S_2P (OEt) _2] _3 [S_2P (OEt) _3] was determined by X-ray diffraction. Crystal is a three kinds of crystal system. The unit cell parameters were a = 13.387 (3), b = 13.997 (4), c = 16.281 (3),? = 72.84 (2) °, β = 87.92 (2) ° and γ = 84.87 (2) °; z = 2; space group P (?). The atomic coordinates were obtained by the direct method (MULTAN-80). All non-hydrogen atomic coordinates and thermal parameters were refined by the full matrix least-squares method with a final deviation factor of R = 0.092. Studies have shown that in this neutral coordination molecule, the center of the cluster is [Mo_4S_3O] -type cubic configuration, plus two kinds of [S_2P (OEt) _2] ~ - The atomic cycles satisfy the requirements of the distorted six-coordinated octahedron. We also discuss the differences in the structural parameters of the two [S 2 P (OEt) _2] ~ - ligands.