Information card for entry 7120219

Structure parameters

• Formula: C54 H47 Mo6 N2 O24 P2.5
• Calculated formula: C54 H47 Mo6 N2 O24 P2.5
• 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: 13.66 ± 0.006 Å
• b: 14.163 ± 0.006 Å
• c: 32.542 ± 0.014 Å
• α: 90 ± 0.0019°
• β: 96.619 ± 0.002°
• γ: 90 ± 0.0019°
• Cell volume: 6254 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No