Information card for entry 7216579

Structure parameters

• Chemical name: [60]fullerene 1,3,5-triphenylbenzene chlorobenzene clathrate
• Formula: C114 H41 Cl
• Calculated formula: C114 H41 Cl
• 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: 10.089 ± 0.006 Å
• b: 12.709 ± 0.005 Å
• c: 13.642 ± 0.005 Å
• α: 91.17 ± 0.04°
• β: 91.06 ± 0.05°
• γ: 111.42 ± 0.03°
• Cell volume: 1627.4 ± 1.3 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2414
• Weighted residual factors for all reflections included in the refinement: 0.2719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No