The synthesis and crystal structure of a novel cubane-like molybdenum copper sulfur cluster [Mo 3CuS 4]·[S 2P(OC 2H 5) 2] 3·I·CH 3COO·HCON(CH 3) 2

Abstract

The synthesis and crystal structure of a novel cubane-like cluster with a [Mo 3CuS 4] cluster core is reported herein. This compound was prepared from CuI upon reaction with the trinuclear molybdenum cluster {Mo 3S 4[S 2P(OC 2H 5) 2] 4}·H 20. The title compound crystallizes in a triclinic space group P 1 with the following unit cell dimensions: a= 12.639(3); b=13.722(2); c=14.644(2); α= 108.78(1); β=106.36(1); γ=102.54(1)°; Z=2; V=2124 ,Å 3; D c=2.022 g cm −3. 7491 independent reflections were collected on a CAD-4 four-circle diffractometer with Mo Kα radiation in the range 1°<θ⩾-25°, with only 2434 reflections having intensities within the range I ⩾ 3σ( I). The structure was determined by Patterson and Fourier methods and refined by the least-squares method to a final R index of 0.054. There are some distortions in the cubane-like [Mo 3CuS 4] core, with three MoMo bonds and three MoCu bonds.