Information card for entry 5000325

Structure parameters

• Formula: C107 H85 Fe8 N5 O31
• Calculated formula: C106 Fe8 N5 O31
• a: 19.211 ± 0.008 Å
• b: 23.676 ± 0.011 Å
• c: 15.767 ± 0.008 Å
• α: 103.14 ± 0.02°
• β: 99.07 ± 0.02°
• γ: 108.96 ± 0.02°
• Cell volume: 6393 ± 5 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 3.9087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No