Sv. Konovalikhin et al., CRYSTAL-STRUCTURE OF A NEW MOLECULAR-COMPLEX OF FULLERENE WITH TETRAMETHYLTETRASELENAFULVALENE - C-60-CENTER-DOT-TMTSF-CENTER-DOT-2CS(2), Russian chemical bulletin, 46(8), 1997, pp. 1415-1420
A new molecular complex of fullerene with tetramethyltetraselenafulval
ene (TMTSF), C-60. TMTSF . 2CS(2), (1) was synthesized. The structure
and composition of the complex were established by X-ray diffraction a
nalysis. The crystals of C-60. C10H12Se4 . 2CS(2) are monoclinic: a =
15.407(2), b = 12.934(2), c = 12.026(2) Angstrom, beta = 108.39(3)degr
ees, V = 2274.1(6) Angstrom(3), space group Cm, Z = 2, d(calc) = 1.929
g cm(-3), R = 0.047. The crystal structure of 1 consists of layers. L
ayers formed by fullerene and CS2 molecules alternate with layers of T
MTSF molecules. Peculiarities of the crystal structure of 1 are the no
nplanar conformation of TMTSF molecules and the absence of shortened C
...C contacts between adjacent fullerenes molecules. The energy of int
ermolecular TMTSF...C-60 interactions in the crystal was estimated.