The synthesis and crystal structure of a trinuclear molybdenum cluster compound [Mo3(μ-O)(μ-S)3(μ(μ-OAc)2(dtp)2·(Py)]·0.5H2O

Mo₃,OS₃(dtp)₄(H₂O)] reacts with NaOAc·3H₂O in Py to give the title compound. The crystal data are as follows: Mo₂OS₃)(OAc)₂(dtp)₂·Py]?0.5H,O(dtp = S₃P(OC₂H₅)₂]^?, Py = C₅H₅N); M = 976.64; triclinic; space group P1 ; a=11.704(5), b=14.169(7), c= 11.688 (5) Å α=109.94(4) β = 91.53(4), γ = 91.93(4)°; V= 1819(1) Ų; Z=2; D_c = 1.78 g·cm^?3 λ(Mo Kα) = 0.71069 Å μ=15.15 cm^?1; F(000) = 970 T=296 K; final R=0.071 for 1652 reflections with I>3σ(I). In the molecule, the Mo₃OS₃] core is surrounded by two bridging OAc groups and two terminal chelate dtp groups attached to the {Mo₃} triangle in a symmetric style, and the Py ligand is coordinated to the Mo atom at the apex of {Mo₃} triangle with the nitrogen. This novel configuration is obtained for the first time with Mo—N bond length being 2.27 (2) Å and three Mo—Mo bond lengths 2.584 (4), 2.587 (4) and 2.657(4) Å, respectively. As a whole, the molecule has a virtual C₂ symmetry.