Information card for entry 7120218

Structure parameters

• Formula: C47 H63 Mo12 N14 O45 P
• Calculated formula: C47 H63 Mo12 N14 O45 P
• Title of publication: A dielectric anomaly observed for doubly reduced mixed-valence polyoxometalate
• Authors of publication: Nakamura, Ippei; Tsunashima, Ryo; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.997 ± 0.0007 Å
• b: 12.902 ± 0.0007 Å
• c: 14.6379 ± 0.0008 Å
• α: 114.666 ± 0.0007°
• β: 106.786 ± 0.0007°
• γ: 95.9885 ± 0.0007°
• Cell volume: 1904.3 ± 0.18 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No