Information card for entry 7213433

Structure parameters

• Common name: [C60F17(CF3)].2(toluene)]
• Formula: C75 H16 F20
• Calculated formula: C74.09 H9.35 Cl0.26 F20
• Title of publication: Isolation and spectroscopic characterisation of C60F17CF2CF3 and isomers of C60F17CF3; insertion of :CF2 into fluorofullerene C‒F bonds
• Authors of publication: Boltalina, Olga V.; Hitchcock, Peter B.; Troshin, Pavel A.; Street, Joan M.; Taylor, Roger
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 2410
• a: 21.2325 ± 0.0006 Å
• b: 12.0459 ± 0.0005 Å
• c: 18.7578 ± 0.0008 Å
• α: 90°
• β: 91.173 ± 0.002°
• γ: 90°
• Cell volume: 4796.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.1034
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No