Information card for entry 4516013

Structure parameters

• Formula: H81.32 K12.87 O150.66 P5 W30
• Calculated formula: K12.866 O150.662 P5 W30
• Title of publication: Preparation of Preyssler-type Phosphotungstate with One Central Potassium Cation and Potassium Cation Migration into the Preyssler Molecule to form Di-Potassium-Encapsulated Derivative.
• Authors of publication: Hayashi, Akio; Wihadi, Muh Nur Khoiru; Ota, Hiromi; López, Xavier; Ichihashi, Katsuya; Nishihara, Sadafumi; Inoue, Katsuya; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 2363 - 2373
• a: 32.6621 ± 0.0015 Å
• b: 21.5252 ± 0.001 Å
• c: 19.0566 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13397.9 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No