Information card for entry 1100993

Structure parameters

• Formula: C20 Mo36 N8 O138
• Calculated formula: C20 Mo36 N8 O138
• Authors of publication: Kazuo Eda; Yuichi Iriki
• Journal of publication: Chemistry Letters
• a: 14.821 ± 0.003 Å
• b: 14.969 ± 0.003 Å
• c: 17.694 ± 0.004 Å
• α: 98.403 ± 0.004°
• β: 104.677 ± 0.003°
• γ: 106.473 ± 0.003°
• Cell volume: 3539.6 ± 1.3 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: 0.0782
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 8000015
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No