COMPLEX OF BUCKMINSTERFULLERENE WITH SULFUR, C-60-CENTER-DOT-2S(8) - SYNTHESIS AND CRYSTAL-STRUCTURE

The C(60.)2S(8) complex was prepared by reaction of buckminsterfullerene C-60 with sulfur in trichloroethylene and its single-crystal X-ray structure was studied at room temperature. Crystals of this compound are monoclinic, space group C 2/c, a = 20.90(1), b = 21.10(1), c = 10.537(9) Angstrom, beta = 111.29(7)degrees, Z = 4, d(calc) = 1.89 g.cm(-3). The crystal structure of the C-60.2S(8) complex consists of packed fullerene molecules that form hexagonal channels along the c axis with eight-membered crown-shaped S-8 cyclic molecules inside the channels. The distances between the centers of neighboring fullerene molecules are 10.036(7), 10.636(7), and 10.537(9) Angstrom. Each C-60 molecule is linked to eight S-8 molecules with ten shortened intermolecular contacts C...S 3.41(1)-3.52(2) Angstrom. The average values of the C=C and C-C bond lengths are 1.32(3) and 1.47(3) Angstrom, which attest to a significant degree of localization of electron density in the C-60 molecule.