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The cover picture shows a section of the electron charge density of the first metal carbide endohedral metallofullerene (Sc C )@C obtained from a synchrotron X-ray powder diffraction study by the maximum entropy method (MEM). The several density maxima, which correspond to scandium and carbon atoms,...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2001-01, Vol.40 (2), p.265
Main Authors: Wang, Chun-Ru, Kai, Tsutomu, Tomiyama, Testuo, Yoshida, Takuya, Kobayashi, Yuji, Nishibori, Eiji, Takata, Masaki, Sakata, Makoto, Shinohara, Hisanori
Format: Article
Language:English
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Summary:The cover picture shows a section of the electron charge density of the first metal carbide endohedral metallofullerene (Sc C )@C obtained from a synchrotron X-ray powder diffraction study by the maximum entropy method (MEM). The several density maxima, which correspond to scandium and carbon atoms, are clearly seen inside the C carbon cage. The MEM charge density distribution also reveals that the C cage has D symmetry (no. 23) and that the C axis is parallel to the 〈100〉 face-centered cubic (fcc) direction of the unit cell. As a consequence of the site symmetry being 4mm, the C axis of (Sc C )@C is oriented to six equivalent 〈100〉 directions and shows a merohedral disorder. The resultant Sc⋅⋅⋅Sc distances and C-C bond lengths of the Sc C cluster are 0.429(2) and 0.142(6) nm, respectively. The observed C-C bond length is between that of a typical single and a double bond, and is very close to that of the C-C bond (0.143 nm) combining two pentagons in a C molecule. More about this fascinating structure can be found in the contribution by Shinohara and co-workers on p. 397 ff.
ISSN:1521-3773