Information card for entry 4305257

Structure parameters

• Formula: Ce Cs10 H40 Mo22 O98 P2
• Calculated formula: Ce Cs10 Mo22 O94 P2
• SMILES: O1[Ce]23456([O]=[Mo]789(=O)O[Mo]%10%11%12(O[Mo]%13%14(=O)([O]%15%16=P%17%18[O]%19%20[Mo]%21%22%23(O[Mo]%24%19(=[O]6)(O[Mo]6(=[O]4)(=O)(O[Mo]4(O[Mo]%15(=O)(O%13)(O[Mo]%20(O%21)(O%24)(=O)O4)O[Mo]%16(=O)(O[Mo](=[O]2)(=O)(O7)([O]8%18)O%23)(O%22)O%14)([O]%11%176)(=O)O%12)O%10)=O)=O)O9)=O)O[Mo]246(=O)O[Mo]789(O[Mo]%10%11(=O)([O]%12%13=P%14%15[O]%16%17[Mo]%18%191(O[Mo]1(=[O]5)(=O)(O[Mo]5(O[Mo]%20%12(=O)(O%10)O[Mo]%17(O%19)(O[Mo]%10%16(O%18)(O[Mo]%13(=O)(O[Mo](=[O]3)(=O)(O2)([O]4%15)O%10)(O%11)O%20)=O)(=O)O5)([O]8%141)(=O)O9)O7)=O)O6)=O.[Cs+].O.[Cs+].[Cs+].O.[Cs+].[Cs+].O.O.O.O.O.O.[Cs+].O.[Cs+].[Cs+].O.[Cs+].[Cs+].O.O.O.O.O.O
• Title of publication: Tetravalent Metal Complexation by Keggin and Lacunary Phosphomolybdate Anions
• Authors of publication: Roy Copping; Leif Jonasson; Andrew J. Gaunt; Dennis Drennan; David Collison; Madeleine Helliwell; Ross J. Pirttijarvi; Chris J. Jones; Anne Huguet; David C. Apperley; Nikolas Kaltsoyannis; Iain May
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5787 - 5798
• a: 37.7066 ± 0.0015 Å
• b: 13.3093 ± 0.0005 Å
• c: 19.9971 ± 0.0007 Å
• α: 90°
• β: 118.149 ± 0.006°
• γ: 90°
• Cell volume: 8848.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No