Crystal and molecular structures of fluorinated derivatives of C60 fullerene

Two solvates of fluorinated derivatives of C₆₀ fullerene were studied by single-crystal X-ray diffraction analysis. The crystals of fluorinated fullerene solvate C₆₀F₁₈·C₆H₅Me belong to the monoclinic system with the unit cell parameters a = 11.532(2) , b = 21.501(3) , c = 16.261(2) , = 101.798(5)°. The fluorinated fullerene molecule with the approximate symmetry C_3v occupies a general position. The crystals of fluorinated fullerene solvate C₆₀F₄₈·2C₆H₃Me₃ belong to the cubic system (a = 23.138(2) ). The C₆₀F₄₈ molecule occupies the special position with the S₆ symmetry. The experimental molecular geometry agrees with the results of quantum-chemical calculations.