Information card for entry 4504583

Structure parameters

• Formula: C104 H10 F20 N4
• Calculated formula: C104 H10 F20 N4
• 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: 16.2344 ± 0.0002 Å
• b: 16.2344 ± 0.0002 Å
• c: 12.2612 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3231.51 ± 0.08 ų
• Cell temperature: 356 ± 2 K
• Ambient diffraction temperature: 356 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No