Information card for entry 7216578

Structure parameters

• Common name: C60 TPB clathrate
• Chemical name: [60]fullerene triphenylbenzene clathrate
• Formula: C84 H18
• Calculated formula: C84 H18
• Title of publication: Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents
• Authors of publication: Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.
• Journal of publication: CrystEngComm
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 104
• Pages of publication: 618
• a: 13.255 ± 0.003 Å
• b: 18.55 ± 0.005 Å
• c: 18.597 ± 0.005 Å
• α: 90°
• β: 108.882 ± 0.006°
• γ: 90°
• Cell volume: 4326.6 ± 1.9 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.185
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections: 0.2195
• Weighted residual factors for significantly intense reflections: 0.174
• Goodness-of-fit parameter for all reflections: 0.932
• Goodness-of-fit parameter for significantly intense reflections: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No