Information card for entry 4504501

Structure parameters

• Common name: C70.H2F20TPP.8benzene
• Formula: C162 H58 F20 N4
• Calculated formula: C162 H58 F20 N4
• Title of publication: Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70
• Authors of publication: Olmstead, Marilyn M.; Nurco, Daniel J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 109
• a: 28.7889 ± 0.0013 Å
• b: 28.7889 ± 0.0013 Å
• c: 12.7959 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10605.3 ± 0.9 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1422
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2518
• Weighted residual factors for all reflections included in the refinement: 0.2892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No