Is the isolated pentagon rule merely a suggestion for endohedral fullerenes?: The structure of a second egg-shaped endohedral fullerene-Gd3N @ Cs(39663)-C82

The structure of Gd3N@C-s(39663)-C-82 has been determined through single crystal X-ray diffraction on Gd3N@C-s (39663)-C-82-Ni-II(OEP)center dot 2(C6H6) The carbon cage has a distinct egg shape because of the presence of a single pair of fused pentagons at one apex of the molecule. Although 9 IPR structures are available to the C-82 Gage, one of the 39709 isomeric structures that do not conform to the IPR was found in Gd3N@C-S(39663)-C-82. The egg-shaped structure of Gd3N@C-s(39663)-C-82 is similar to that observed previously for M3N@C-s(51365)-C-84 (M = Gd, Tm, Tb). As noted for other non-IPR endohedral fullerenes, one Gd atom in Gd3N@C-s(39663)-C-82 is nestled within the fold of the fused pentagons.