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  • Title: Is the isolated pentagon rule merely a suggestion for endohedral fullerenes? The structure of a second egg-shaped endohedral fullerene--Gd3N@C(s)(39663)-C82.
    Author: Mercado BQ, Beavers CM, Olmstead MM, Chaur MN, Walker K, Holloway BC, Echegoyen L, Balch AL.
    Journal: J Am Chem Soc; 2008 Jun 25; 130(25):7854-5. PubMed ID: 18517200.
    Abstract:
    The structure of Gd3N@Cs(39663)-C82 has been determined through single crystal X-ray diffraction on Gd3N@Cs(39663)-C82.NiII(OEP).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 C82 cage, one of the 39709 isomeric structures that do not conform to the IPR was found in Gd3N@Cs(39663)-C82. The egg-shaped structure of Gd3N@Cs(39663)-C82 is similar to that observed previously for M3N@Cs(51365)-C84 (M = Gd, Tm, Tb). As noted for other non-IPR endohedral fullerenes, one Gd atom in Gd3N@Cs(39663)-C82 is nestled within the fold of the fused pentagons.
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