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该簇合物系黑色片状晶体。空间群为P。对5103个I≥3σ(I)的独立衍射的最终R因子为0.062。结果表明,晶体由中性单硫帽三核钼原子簇化合物分子所组成。Mo—Mo间距分别为2.718(1),2.840(1)和2.796(1),表现一定程度的M—M成键作用。两个Cl原子和一个S原子作二重桥,使得以上这七个原子形成一个缺顶点的类立方烷构型。此外,每个钼原子还由其它三个原子配位以形成八面体配位构型。其中一个[S_2P(OEt)_2]~-基团通过两个硫原子分别与两个钼原子配位,起到一种新颖的二重桥的作用。
The cluster compound is black flaky crystal. Space group is P. The final R factor for the independent diffraction of 5,103 I ≧ 3σ (I) was 0.062. The results show that the crystal is composed of neutral single-sulfur cap trinuclear molybdenum cluster compound molecules. The Mo-Mo distances are 2.718 (1), 2.840 (1) and 2.796 (1), respectively, exhibiting a certain degree of M-M bonding. Two Cl atoms and one S atom as a double bridge, so that the above seven atoms form a lack of vertex-like stereoalkane configuration. In addition, each molybdenum atom is also coordinated by three other atoms to form an octahedral coordination configuration. One of the [S_2P (OEt) _2] ~ - groups is coordinated by two sulfur atoms to two molybdenum atoms, respectively, and serves as a novel double bridge.