Abstract
The compound(C5H7S2)3 [Mo3(μ3-S)2 (μ2-Cl)3Cl6] forms dark black octahedral crystals with the following crystallographic parameters: a =22.885(10)A, c =25.407(7)A. The space group is I4 1/α, Z =16, ρobs.=2.073g/cm~3, ρcalc.=2.126g/cm~3. The 1621 independent reflections with I ≥3σ were collected on a CAD-4 four-circle diffractometer by means of Mo Kα radiation. The structure was solved by three-dimensional Patterson synthesis and refined by least squares technique to a final discrepancy factor of R =0.056. The results of our investiga- tion reveal that the molecule consists of a trinuclear Mo cluster anion and three planar mono- cations. surrounding the cluster anion. As the core of the anion the triad of Mo atoms, possessing an equilateral triangular configuration, is linked by two μ3--S bridging atoms and three μ2--Cl atoms. Besides, two terminal Cl atoms are attached to each Mo atom to form an octahedral configuration. The diamagnetism and the short Mo-Mo distances (2.556 A, 2.641 A, 2.653 A) clearly indicate the existence of Mo-Mo bonds. The anion as a whole has an idealized D 3h local symmetry.
Published Version
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