Information card for entry 5000321

Structure parameters

• Formula: C76 H62 Cl12 Fe8 N10 O12
• Calculated formula: C76 H62 Cl12 Fe8 N10 O12
• a: 15.317 ± 0.002 Å
• b: 18.303 ± 0.003 Å
• c: 16.168 ± 0.003 Å
• α: 90°
• β: 108.913 ± 0.008°
• γ: 90°
• Cell volume: 4288.1 ± 1.3 ų
• Cell temperature: 104 K
• Ambient diffraction temperature: 104 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2298
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No