Information card for entry 4060084

Structure parameters

• Formula: C60 H42 Fe6 N O18 P3 S3
• Calculated formula: C60 H42 Fe6 N O18 P3 S3
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 18.119 ± 0.0007 Å
• b: 14.9011 ± 0.0006 Å
• c: 25.4867 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6881.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No