Information card for entry 4110134

Structure parameters

• Formula: C246 H253 Cl38 Cu26 Fe13 N10 O2 P65
• Calculated formula: C246 H226 Cl38 Cu26 Fe13 N10 O2 P65
• Title of publication: Fullerene C60 as an Endohedral Molecule within an Inorganic Supramolecule
• Authors of publication: Manfred Scheer; Andrea Schindler; Roger Merkle; Brian P. Johnson; Michael Linseis; Rainer Winter; Christopher E. Anson; Alexander V. Virovets
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 13386 - 13387
• a: 49.557 ± 0.002 Å
• b: 28.581 ± 0.0011 Å
• c: 27.063 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 38332 ± 3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.2575
• Residual factor for significantly intense reflections: 0.1115
• Weighted residual factors for significantly intense reflections: 0.3187
• Weighted residual factors for all reflections included in the refinement: 0.3917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No