PREPARATION AND CRYSTAL-STRUCTURE OF C60S8CS2, A NEW FULLERENE-CONTAINING HETEROMOLECULAR SOLID

Preparation, crystal structure and some basic properties of a new full erene-containing molecular solid, C60S8CS2, comprising C60 fullerene m olecules, S8 rings and linear CS2 groups are described. The orthorhomb ic structure (a = 9.973 (1) angstrom, b = 13.356(2) angstrom, c = 28.6 54(4) angstrom, space group Pnma, z=4), as determined from single crys tal X-ray data collected at room temperature, has been refined to a re solution of about 1.8 angstrom. The structure is built up of six-membe red zig-zag rings of C60 molecules in the b-c plane which share common edges and are stacked closely upon each other along a. In this way th ey form a 3D framework with large 1D channels along a containing the S 8 and CS2 molecules. Within the resolution of the experiment the fulle rene molecules in C60S8CS2 appear to be orientationally disordered whi le the S8 and the CS2 molecules are well ordered. The compound is an i nsulator with a reddish-brown colour and almost isotropic light absorp tion.