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由贫硫化合物{Mo_3S_4[S_2P(OEt)_2]_4·H_2O}通过加硫获得了富硫化合物{Mo_3S_7[S_2P(OEt)_2]_3·I}(CH_8C_6H_5).化合物属三斜晶系,空间群PI,晶胞参数为a=10.350(1)A,b=13.931(4)A,c=16.369(3)A,α=103.69(2),β=86.62(1),γ=111.99(2)°,V=2183A~3;z=2,D_c=1.817g·cm~(-3).最终结构偏离因子R为0.042. 簇分子{Mo_3(μ_3-S)(μ-S_2)_3[S_2P(OEt)_2]3·I}属{Mo_3(μ3一Y)(μ-S_2)_3[S_2P(OEt)_2]_3·X}(Y=O,S;X=Cl,I)系列构型.{Mo_3}基本上是一个正三角形,Mo—Mo键长分别为2.721(1),2.724(1),2.725(1)A,Mo的配位多面体为七个硫原子组成的畸变五角双锥,有一个I原子联结着三个(S_2)~(2-)桥基的三个不与Mo共平面的S原子,I—S距离平均为3.169A,比相应的Van der Waals距离(～4.00A)明显地短,显示一定程度的成键作用,簇分子的这一构型是一种较为稳定的结构类型.
The sulfur-enriched compound {Mo_3S_7 [S_2P (OEt) _2] _3 · I} (CH_8C_6H_5) was obtained from the sulfur-depleted compound {Mo_3S_4 [S_2P (OEt) _2] _4 · H_2O} .The compounds belong to triclinic system Group PI, with unit cell parameters of a = 10.350 (1) A, b = 13.931 (4) A, c = 16.369 (3) A, α = 103.69 (2), β = 86.62 ), V = 2183A ~ 3, z = 2, D_c = 1.817g · cm ~ (-3) .The final structure deviation factor R is 0.042. The cluster molecules {Mo_3 (μ_3-S) (μ-S_2) _3 [S_2P (OEt) _2] 3 · I} belongs to {Mo_3 (μ3_Y) (μ_S_2) _3 [S_2P (OEt) _2] _3 · X} (Y = O, S; X = Cl, I) . {Mo_3} is basically a regular triangle, Mo-Mo bond length is 2.721 (1), 2.724 (1), 2.725 (1) A, Mo coordination polyhedron is composed of seven sulfur atoms distorted pentagonal bipyramid , There is an I atom with three S atoms co-planar with Mo which are connected with three (S_2) ~ (2-) bridges. The average I-S distance is 3.169A, which is higher than the corresponding Van der Waals distance (~ 4.00 A) is significantly shorter and shows a certain degree of bond formation. This configuration of cluster molecules is a more stable type of structure.