Crystal structure of a new fullerene complex: C60·(MT)·2(CS2)

The new complex of [60]fullerene with bis(methylenedithiotetrathiafulvalene) (MT) was studied by an X-ray analysis. The main crystal data for C60·(MT)·2(CS2) (1): M=1229.45, monoclinic, a=13.550(5) Å, b=9.964(7) Å, c=17.125(8) Å, α=99.52(4)°, V=2280(2) Å3, space group P21/m. The crystal structure of 1 is built up of C60 layers which alternate with the layers consisting of MT and CS2 molecules. There are shortened contacts between C60 and donor molecule that gives rise to a change of the MT geometry. The donor molecules in 1 are connected by the shortened S⋯S intermolecular contacts that discovered for the first time for the CTC based on [60]fullerene.