The Structure of the C 60 Molecule: X-Ray Crystal Structure Determination of a Twin at 110 K
1991; American Association for the Advancement of Science; Volume: 254; Issue: 5030 Linguagem: Inglês
10.1126/science.254.5030.408
ISSN1095-9203
AutoresShengzhong Liu, Ying-Jie Lu, Manfred M. Kappes, James A. Ibers,
Tópico(s)Carbon Nanotubes in Composites
ResumoSingle-crystal x-ray diffraction methods were used to determine the crystal and molecular structure of C(60) buckminsterfullerene. At 110 kelvin C(60) is cubic, apparent Laue symmetry m3m, but it exhibits noncrystallographic systematic extinctions indicative of a twin in which I(hkl) and I(khl) are superimposed. In fact, C(60) crystallizes with four molecules in space group [See equation in the PDF file] of the cubic system (Laue symmetry m3) with lattice constant a = 14.052(5) angstroms (A) at 110 kelvin. The twin components are equal. A given component, which has crystallographically imposed symmetry [See equation in the PDF file] displays an ordered structure of a truncated icosahedron. The five independent C=C bonds that join C(6) rings average 1.355(9) A; the ten independent C-C bonds that join C(6) and C(5) rings average 1.467(21) A. The mean atom-to-atom diameter of the C(60) molecule is 7.065(3) A. The molecules are very tightly packed in the crystal structure, with intermolecular C...C distances as short as 3.131(7) A.
Referência(s)