Information card for entry 4349221

Structure parameters

• Formula: K11 O128 P5 W30
• Calculated formula: K11 O128 P5 W30
• SMILES: [K+].[K+].O=[W]1234O[W]567(=O)O[W]89%10(=O)O[W]%11%12%13(=O)O[W]%14%15(=O)(O1)O[W]1%16%17(=O)O[W]%18%19(O%12)(O[W]%12%20(=O)(O%11)O[W]%11%21(=O)(O9)O[W]9%22(=O)(O8)O[W]8%23(=O)(O6)O[W]6%24(=O)(O5)O[W]5%25(=O)(O3)O[W]3%26(=O)(O2)O[W]2(O%14)(=O)(O1)O[W]1%14%27(=O)O[W]%28%29%30(=O)O[W]%31%32%33([O]=P%34([O]%25[W](O5)(=O)(O%32)(O[W]5%25(O6)([O]%24P6([O]%23[W]%23(O8)(=O)(O[W](=O)(O[W]8%24%32([O]=P%35([O]%22[W](O9)(=O)(O%32)(O[W](O%11)([O]%21%35)(=O)(O%24)O[W]9%11(=O)(O[W]%21(=O)(O%28)(O8)O[W](=O)(O[W](=O)(O%29)(O%14)(O%16)[O]%17P(=[O]%15)([O]2%27)O%30)(O9)(O%18)[O]%19P(=[O]%21)([O]%20%11)O%13)O%12)O%23)O%10)=O)(O%31)(O5)O6)O%25)=[O]7)=O)O[W](=O)(O%33)(O1)(O3)[O]%26%34)O4)=O)=O.[K+].O.[K+].O.[K+].O.[K+].O.O.O.O.O.O.[K+].[K+].O.[K+].O.[K+].O.[K+].O.O.O.O.O.O
• Title of publication: Encapsulation of Two Potassium Cations in Preyssler-Type Phosphotungstates: Preparation, Structural Characterization, Thermal Stability, Activity as an Acid Catalyst, and HAADF-STEM Images.
• Authors of publication: Hayashi, Akio; Ota, Hiromi; López, Xavier; Hiyoshi, Norihito; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11583 - 11592
• a: 32.843 ± 0.006 Å
• b: 21.455 ± 0.004 Å
• c: 19.126 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13477 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.1138
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No