Information card for entry 4116219

Structure parameters

• Formula: C209.5 H182 Cl2 N10 Pd2.5
• Calculated formula: C209.5 H182 Cl2 N10 Pd2.5
• Title of publication: Porphyrin-Fullerene Host-Guest Chemistry
• Authors of publication: Dayong Sun; Fook S. Tham; Christopher A. Reed; Leila Chaker; Michael Burgess; Peter D. W. Boyd
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 10704 - 10705
• a: 27.863 ± 0.003 Å
• b: 43.569 ± 0.003 Å
• c: 29.333 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35609 ± 5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No