High-resolution analysis of (Sc3C2)@C-80 metallofullerene by third generation synchrotron radiation X-ray powder diffraction

Department of Applied Physics, Nagoya University, Nagoya 464-8603, Japan.
The Journal of Physical Chemistry B (Impact Factor: 3.38). 11/2006; 110(39):19215-9. 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.