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

Preparation, crystal structure and some basic properties of a new fullerene-containing molecular solid, C60S8CS2, comprising C60 fullerene molecules, S8 rings and linear CS2 groups are described. The orthorhombic structure (a = 9.973 (1) angstrom, b = 13.356(2) angstrom, c = 28.654(4) angstrom, space group Pnma, z=4), as determined from single crystal X-ray data collected at room temperature, has been refined to a resolution of about 1.8 angstrom. The structure is built up of six-membered 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 they form a 3D framework with large 1D channels along a containing the S8 and CS2 molecules. Within the resolution of the experiment the fullerene molecules in C60S8CS2 appear to be orientationally disordered while the S8 and the CS2 molecules are well ordered. The compound is an insulator with a reddish-brown colour and almost isotropic light absorption.