Structure C-70 fullerene in the crystalline adduct C-70 center dot 2TiCl(4)

The crystalline C-70 . 2TiCl(4) adduct was isolated from a solution of C-70 in TiCl4. The crystals are monoclinic: space group P2(1)/c, a = 41.816(6) Angstrom, b = 10.197(1) Angstrom, c = 30.723(5) Angstrom, beta = 93.59(2)de grees, V = 13075(6) Angstrom (3), Z = 4, R-1 = 0.0586. Three independent C- 70 molecules (A, B, and C) have non-crystallographic D-5h symmetry. For mol ecule A, which is fixed most rigidly in the crystal structure, the averaged C-C distances of eight types (from a pole to the equator) are 1.456(8), 1. 377(8), 1.461(8), 1.372(8), 1.450(8), 1.437(8), 1.418(8), and 1.476(8) Angs trom. Similar values were found for molecules B and C. Layers of C-70 and T iCl4 Molecules alternate in the crystal structure. The fullerene molecules are arranged in the layer according to the hexagonal pattern, the sequence of the rows being ...BBCAACB.... The short C...C contacts between C70 molec ules within a layer occur at distances of 3.13-3.37 Angstrom. The shortest (CCl)-Cl-... contacts (3.2-3.5 Angstrom) involve mainly C atoms located nea r the poles of C-70.