Information card for entry 2216158

Structure parameters

• Chemical name: trirubidium molybdophosphate
• Formula: Mo12 O40 P Rb3
• Calculated formula: Mo12 O40 P Rb3
• SMILES: [Mo]1234([O]56[Mo]78(O[Mo]9%10%11(O[Mo]%12%13(O8)(=O)[O]8%14[Mo]%15%16(O[Mo]5(O[Mo]5%17(=O)([O]%18%19[Mo]%20%21(O[Mo]8(O[Mo]8(O%20)(=O)([O]9([Mo](O[Mo]%18(O1)(O5)(=O)O%21)(O4)(=O)(O8)O%11)=P6%14%19)O%10)(=O)(O%16)O%13)(=O)O%17)O%15)(=O)(O2)O7)(=O)O%12)=O)(=O)O3)=O.[Rb+].[Rb+].[Rb+]
• Title of publication: Rb~3~[PMo~12~O~40~], a compound containing Keggin anions
• Authors of publication: P. Armand; D. Granier; A. van der Lee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: i191 - i191
• a: 11.67521 ± 0.00008 Å
• b: 11.67521 ± 0.00008 Å
• c: 11.67521 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1591.45 ± 0.019 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 224
• Hermann-Mauguin space group symbol: P n -3 m :2
• Hall space group symbol: -P 4bc 2bc 3
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes