title: Isolation and structural characterization of two very large, and largely empty, endohedral fullerenes: Tm@C(3v)-C(94) and Ca@C(3v)-C(94).
abstract: The structures of two newly synthesized endohedral fullerenes, Tm@C(3v)-C(94) and Ca@C(3v)-C(94), have been determined by single crystal X-ray diffraction on samples cocrystallized with Ni(II)(octaethylporphyrin). Both compounds exhibit the same cage geometry and conform to the isolated pentagon rule (IPR). The metal ions within these rather large cages are localized near one end and along the C(3) axis. While the calcium ion is situated over a C-C bond at a 6:6 ring junction, the thulium ion is positioned above a six-membered ring of the fullerene.
authors.affiliation: Department of Chemistry, Zhejiang University, Hangzhou 310027, China.
authors.forename: Yuliang
authors.initials: Y
authors.lastname: Che
authors.forename: Hua
authors.initials: H
authors.lastname: Yang
authors.forename: Zhimin
authors.initials: Z
authors.lastname: Wang
authors.forename: Hongxiao
authors.initials: H
authors.lastname: Jin
authors.forename: Ziyang
authors.initials: Z
authors.lastname: Liu
authors.forename: Chunxin
authors.initials: C
authors.lastname: Lu
authors.forename: Tianming
authors.initials: T
authors.lastname: Zuo
authors.forename: Harry C
authors.initials: HC
authors.lastname: Dorn
authors.forename: Christine M
authors.initials: CM
authors.lastname: Beavers
authors.forename: Marilyn M
authors.initials: MM
authors.lastname: Olmstead
authors.forename: Alan L
authors.initials: AL
authors.lastname: Balch
mesh_terms: D018360:Crystallography, X-Ray; D037741:Fullerenes / Q000737:chemistry / Q000302:isolation & purification*; D013058:Mass Spectrometry; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: D037741:Fullerenes