Information card for entry 1101003

Structure parameters

• Formula: C40 Mo36 N8 O142
• Calculated formula: C40 Mo36 N8 O142
• Authors of publication: Kazuo Eda; Yuichi Iriki
• Journal of publication: Chemistry Letters
• a: 19.386 ± 0.003 Å
• b: 14.7539 ± 0.0018 Å
• c: 18.465 ± 0.002 Å
• α: 70.538 ± 0.002°
• β: 85.632 ± 0.003°
• γ: 123.229 ± 0.002°
• Cell volume: 3934.9 ± 0.9 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: 0.1183
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.2184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No