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

[Mo 3 ,OS 3 (dtp) 4 (H 2 O)] reacts with NaOAc·3H 2 O in Py to give the title compound. The crystal data are as follows: [Mo 2 OS 3 )(OAc) 2 (dtp) 2 ·Py]−0.5H,O(dtp = [S 3 P(OC 2 H 5 ) 2 ] − , Py = C 5 H 5 N); M = 976.64; triclinic; space group P 1 ; 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) Å 2 ; 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 [Mo 3 OS 3 ] core is surrounded by two bridging OAc groups and two terminal chelate dtp groups attached to the {Mo 3 } triangle in a symmetric style, and the Py ligand is coordinated to the Mo atom at the apex of {Mo 3 } 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 C 2 symmetry.