Acta Cryst. (2006). E62, o617-o619  [ doi:10.1107/S1600536806000651 ]

1,4,10,19,25,32,41,49,54,60,66,69-Dodecakis(trifluoromethyl)-1,4,10,19,25,32,41,49,54,60,66,69-dodecahydro(C₇₀-D_5h(6))[5,6]fullerene benzene 2.5-solvate

I. E. Kareev, S. F. Lebedkin, S. M. Miller, O. P. Anderson, S. H. Strauss and O. V. Boltalina

Abstract: The title compound, which crystallized with 2.5 molecules of benzene in the asymmetric unit C₈₂F₃₆·2.5C₆H₆, is one of two isomers of C₇₀(CF₃)₁₂ that represent the first structurally characterized fullerene derivatives with exactly 12 substituents. This isomer consists of an idealized D_5h-C₇₀ core with the 12 CF₃ groups arranged on a para⁷-meta-para ribbon of edge-sharing C₆(CF₃)₂ hexagons plus an isolated C₆(CF₃)₂ hexagon. There are no cage Csp³-Csp³ bonds. As in the recently published structures of C_s-C₇₀(CF₃)₈ and C₁-C₇₀(CF₃)₁₀, there are intramolecular FF contacts between pairs of neighboring CF₃ groups ranging from 2.486 (3) to 2.864 (3) Å.

Online 18 January 2006

Copyright © International Union of Crystallography
IUCr Webmaster