Information card for entry 5000362

Structure parameters

• Formula: C45 H100 Mo2 O9
• Calculated formula: C45 H46 Mo2 O9
• a: 14.797 ± 0.007 Å
• b: 20.757 ± 0.01 Å
• c: 17.778 ± 0.008 Å
• α: 90°
• β: 90.29 ± 0.02°
• γ: 90°
• Cell volume: 5460 ± 4 ų
• Cell temperature: 128 K
• Ambient diffraction temperature: 128 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2505
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No