Information card for entry 4504586

Structure parameters

• Formula: C168 H63 F30 N6
• Calculated formula: C167.4 H63 F30 N6
• Title of publication: Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization
• Authors of publication: Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 397
• a: 20.9965 ± 0.0004 Å
• b: 20.9965 ± 0.0004 Å
• c: 14.7377 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5626.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No