Information card for entry 1101006

Structure parameters

• Formula: C44 Mo36 N8 O146
• Calculated formula: C44 Mo36 N8 O146
• Authors of publication: Kazuo Eda; Yuichi Iriki
• Journal of publication: Chemistry Letters
• a: 16.552 ± 0.003 Å
• b: 17.108 ± 0.003 Å
• c: 17.298 ± 0.003 Å
• α: 67.803 ± 0.003°
• β: 68.165 ± 0.003°
• γ: 81.981 ± 0.003°
• Cell volume: 4210.1 ± 1.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1447
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No