Information card for entry 4308496

Structure parameters

• Formula: Ce2 Cs8 H60 O108 Si2 W22
• Calculated formula: Ce2 Cs8 O108 Si2 W22
• SMILES: [O]=[W]1234=[O][Ce]567([OH2])([OH2])([O]=[W]89%10%11=[O][Ce]%12%13([O]=[W]%14%15%16(=[O]7)O[W]7%17(=O)(=[O]6)O[W]6%18%19(=O)O[W]%20(=O)(O1)(=[O]5)O[W]15(=O)(O[W]%21%22(=O)(O2)O[W]2(=O)(O3)(O%14)O[W]3%14(=O)(O%15)O[W]%15(=O)(O%21)(O1)O[W](=O)(O%18)(O7)(O3)[O]%17%19[Si]([O]4%20)([O]5%22%15)[O]%162%14)O6)([O]=[W]123(=O)O[W]45(=O)(=[O]%12)O[W]67%12(=O)O[W]%14%15(=O)(O1)O[W]1%16(=O)(O2)O[W]2(=O)(=[O]%13)(O8)O[W]8%13(=O)(O1)O[W]1(=O)(O7)(O%14)O[W]7(=O)(O%10)(O[W](=O)(O4)(O9)(O6)[O]%117[Si]([O]35)([O]%12%151)[O]%162%13)O8)([OH2])([OH2])[OH2])[OH2].[Cs+].O.[Cs+].O.[Cs+].O.O.O.O.O.O.O.O.O.[Cs+].O.[Cs+].O.[Cs+].O.[Cs+].O.O.[Cs+].O.O.O.O.O.O
• Title of publication: Aerobic Oxidation of Formaldehyde Mediated by a Ce-Containing Polyoxometalate under Mild Conditions
• Authors of publication: Oxana A. Kholdeeva; Maria N. Timofeeva; Gennadii M. Maksimov; Raisa I. Maksimovskaya; Wade A. Neiwert; Craig L. Hill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 666 - 672
• a: 12.9455 ± 0.0015 Å
• b: 13.2257 ± 0.0016 Å
• c: 14.5288 ± 0.0017 Å
• α: 81.408 ± 0.002°
• β: 85.618 ± 0.002°
• γ: 80.726 ± 0.002°
• Cell volume: 2424 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No