Examination of intermolecular electronic interactions in the crystal structure of C60(CF3)12 by experimental electron density determination

Abstract

From a high resolution X-ray data set measured at 20 K the experimental electron density of the fullerene C₆₀(CF₃)₁₂ was derived and topologically analyzed to yield, in addition to bond topological and atomic properties, information about the density distribution in the region where hexagons of adjacent molecules approach closely at only 3.3 Å.