Information card for entry 5000355

Structure parameters

• Formula: C85 H96 Mn4 N10 O20
• Calculated formula: C85 H90 Mn4 N10 O20
• a: 12.1886 ± 0.0003 Å
• b: 17.813 ± 0.0005 Å
• c: 22.0268 ± 0.0005 Å
• α: 68.1714 ± 0.0008°
• β: 84.7029 ± 0.0008°
• γ: 83.0696 ± 0.0007°
• Cell volume: 4401.2 ± 0.3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No