Structure of fullerene C-60 in the crystalline adduct C-60 center dot 3TiCl(4)

The crystalline adduct C-60. 3TiCl(4) was isolated from a solution Of C-60 in TiCl4. The crystals belong to to the monoclinic system, space group P2(1 )/n, a = 13.115(3) Angstrom, b = 18.992(5) Angstrom, c = 17.926(4) Angstrom , beta = 93.67(1)degrees, V = 4450 Angstrom (3), Z = 4, R-1 = 0.0389. The C -60 molecule is characterized by the average C-C distances of 1.458 (5 : 6 type) and 1.364 Angstrom (6 : 6 type); large deviations from the average va lues are observed within each group (the distances vary in the ranges of 1. 40-1.51 and 1.33-1.40 A, respectively). This is, apparently, associated wit h the characteristic features of the C-60 environment formed by the adjacen t C-60 molecules and negatively polarized Cl atoms of the TiCl4 molecules o f solvation.