A novel (Me₃PhCH₂N)₂[MoFe₄S ₄(SC₆H₁₁)₇] cubane-like cluster was obtained from a reaction system including (NH₄)₂MoS₄, FeCl₂ and NaSC₆H₁₁ in methanol, and characterized by X-ray crystallography. The title compound crystallizes in triclinic space group P1 with a = 1.523 1(3), b = 1.6105(3), c = 1.838 3(4) nm, a = 77.18 (3)°, β = 75.17(3)°, γ = 64.60 (3)°, and Z = 2. Also included in this paper are the discussions on the variation of the reaction products obtained from the participation of cyclohexylthiolate and on the changes of the structural features of the products.