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Abstract
The title compound, C72F36, is one of four isomers of C60(CF3)12 for which crystal structures have been obtained. The fullerene molecule has an idealized Ih C60 core with the 12 CF3 groups arranged in an asymmetric fashion on two ribbons of edge-sharing C6(CF3)2 hexagons, a para–meta–para–para–para–meta–para ribbon and a para–meta–para ribbon, giving an overall pmp 3 mp,pmp structure. There are no cage Csp 3—Csp 3 bonds. The F atoms of two CF3 groups are disordered over two positions; the site occupancy factors are 0.85/0.15 and 0.73/0.27. There are intramolecular F⋯F contacts between pairs of CF3 groups on the same hexagon that range from 2.521 (3) to 2.738 (4) Å.
Highlights
CF3 groups arranged in an asymmetric fashion on two ribbons of edge-sharing C6(CF3)2 hexagons, a para–meta–para–para
The F atoms of two CF3 groups are disordered over two positions; the site occupancy factors are 0.85/0.15 and
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)
Summary
Department of Chemistry, Colorado State University, Fort Collins, Colorado 80523, USA, bInstitute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka 142432, Russian Federation, and cForschungszentrum Karlsruhe, Institute for Nanotechnology, Karlsruhe 76021, Germany
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