High-Resolution Analysis of (Sc 3 C 2 )@C 80 Metallofullerene by Third Generation Synchrotron Radiation X-ray Powder Diffraction

ArticleinThe Journal of Physical Chemistry B 110(39):19215-9 · November 2006
Impact Factor: 3.30 · DOI: 10.1021/jp061740i · Source: PubMed

    Abstract

    The X-ray structure of Sc(3)C(82) is redetermined by the MEM/Rietveld method by using synchrotron radiation powder data at SPring-8, where the C(2) encapsulated structure available to discuss the Sc-Sc interatomic distances has been determined. The encapsulated three scandium atoms form a triangle shape. A spherical charge distribution originating from the C(2) molecule is located at the center of the triangle. Interatomic distances between Sc and Sc are 3.61(3) A in the triangle. The distance between Sc and the center of the C(2) molecule is 2.07(1) A.