Information card for entry 4116505

Structure parameters

• Chemical name: 7,8-dichloromethanohomo70-fullerene
• Formula: C73.61 H5.78 Cl2
• Calculated formula: C73.612 H5.776 Cl2
• Title of publication: The First Structurally Characterized Homofullerene (Fulleroid)
• Authors of publication: Andrew F. Kiely; Robert C. Haddon; Mark S. Meier; John P. Selegue; Carolyn Pratt Brock; Brian O. Patrick; Guan-Wu Wang; Yongsheng Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 7971 - 7972
• a: 17.876 ± 0.001 Å
• b: 10.73 ± 0.001 Å
• c: 37.935 ± 0.002 Å
• α: 90°
• β: 96.75 ± 0.01°
• γ: 90°
• Cell volume: 7225.9 ± 0.9 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 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: 0.175
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for all reflections: 0.144
• Weighted residual factors for significantly intense reflections: 0.126
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for significantly intense reflections: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No