Synthesis, X-ray Structure and Mass Spectrum of Cs-C60(CF3)6

C_s-C₆₀(CF₃)₆ was synthesized by the reaction of S₆-C₆₀(CF₃)₁₂ with C₆₀ at 530°C. Its molecular structure with skew-pentagonal- pyramidal addition pattern was elucidated by single crystal X-ray diffraction. Theoretical DFT calculations were performed to account for a high degree of fragmentation in negative-ion mass spectra.