Information card for entry 1100990

Structure parameters

• Formula: C12 Mo36 N8 O162
• Calculated formula: C12 Mo36 N8 O162
• Authors of publication: Kazuo Eda; Yuichi Iriki
• Journal of publication: Chemistry Letters
• a: 14.2137 ± 0.0015 Å
• b: 28.849 ± 0.003 Å
• c: 19.059 ± 0.002 Å
• α: 90°
• β: 107.455 ± 0.002°
• γ: 90°
• Cell volume: 7455.2 ± 1.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 8000014
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No