Information card for entry 5000326

Structure parameters

• Formula: C88 H140 Fe8 N4 O42
• Calculated formula: C96 H140 Fe8 N4 O44.6
• a: 25.393 ± 0.006 Å
• b: 26.517 ± 0.006 Å
• c: 17.046 ± 0.004 Å
• α: 90°
• β: 92.944 ± 0.013°
• γ: 90°
• Cell volume: 11462 ± 5 ų
• Cell temperature: 101 K
• Ambient diffraction temperature: 101 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5249
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No