Information card for entry 4112777

Structure parameters

• Formula: C18 H9.5 Br6 F9 N Sb1.5
• Calculated formula: C18 H10 Br6 F9 N Sb1.5
• Title of publication: Generation of Fullerenyl Cation (EtO)2P+(OH)CH2-C60+ from RC60-H and from RC60-C60R (R = CH2P(O)(OEt)2)
• Authors of publication: Yasujiro Murata; Fuyong Cheng; Toshikazu Kitagawa; Koichi Komatsu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 8874 - 8875
• a: 13.533 ± 0.005 Å
• b: 13.533 ± 0.005 Å
• c: 51.977 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 8244 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No