Information card for entry 5000404

Structure parameters

• Formula: C120 H123 Cl4 Mn6 N3 O16
• Calculated formula: C120 H120 Cl4 Mn6 N3 O16
• Authors of publication: Bollinger, John C.
• a: 18.094 ± 0.004 Å
• b: 23.3 ± 0.005 Å
• c: 26.802 ± 0.005 Å
• α: 90°
• β: 92.88 ± 0.03°
• γ: 90°
• Cell volume: 11285.4 ± 3.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.322
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections: 0.226
• Weighted residual factors for significantly intense reflections: 0.1545
• Goodness-of-fit parameter for all reflections: 1.241
• Goodness-of-fit parameter for significantly intense reflections: 1.574
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No