Information card for entry 5000313

Structure parameters

• Formula: C48 H54 Br4 Mn4 N12 O6
• Calculated formula: C47.992 H36 Br4 Mn4 N11.996 O6
• Authors of publication: Bollinger, John C.
• a: 11.4634 ± 0.0012 Å
• b: 12.6097 ± 0.0013 Å
• c: 11.0836 ± 0.0013 Å
• α: 95.966 ± 0.006°
• β: 92.748 ± 0.006°
• γ: 65.207 ± 0.004°
• Cell volume: 1446.6 ± 0.3 ų
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections: 0.1115
• Weighted residual factors for significantly intense reflections: 0.1053
• Goodness-of-fit parameter for all reflections: 1.435
• Goodness-of-fit parameter for significantly intense reflections: 1.532
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No