Information card for entry 4301477

Structure parameters

• Formula: H108 Na4 O127 W22 Yb2
• Calculated formula: Na4 O119.5 W22 Yb2
• SMILES: [W]12345O[W]678(O[W]9%10%11(O[W](O2)(O7)(=O)([O]48%11)O[W]2478O[W]%11%12(O[W]%13%14%15(O[W]%16%17(O2)(=O)[O]%13[W]2%13%18%19O[W]%20%21%22(O[W]%23(O2)(O[W]2(O%20)(O[W]%20%24(O[W]%25%26(O[W](O2)(O%20)(O[W]2(O%21)(O[W](O%25)(=O)([O]%182)(O%17)=[O][Yb]([O]=7)([O]=%19)([OH2])([OH2])([OH2])([OH2])[OH2])(=O)=O)(=O)[O]%24%26)(=O)O%16)(=O)O%15)(=O)[O]%13%22%23)(=O)O%14)=O)=[O][Yb]([O]=1)([OH2])([OH2])([OH2])([OH2])([OH2])[O]=[W]12(O[W]7%13(O[W]%14(O9)(O[W](O%10)(O7)(O[W](O6)(=O)(=O)(O1)[O]52)(=O)[O]%13%14)(=O)O8)(=O)O%11)(=O)O%12)(=O)[O]34)=O)=O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O
• Title of publication: 22-Isopolytungstate Fragment [H2W22O74]14-Coordinated to Lanthanide Ions
• Authors of publication: Amal H. Ismail; Michael H. Dickman; Ulrich Kortz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1559 - 1565
• a: 12.5045 ± 0.0006 Å
• b: 12.659 ± 0.0007 Å
• c: 18.363 ± 0.0011 Å
• α: 98.284 ± 0.004°
• β: 95.477 ± 0.003°
• γ: 93.339 ± 0.003°
• Cell volume: 2855.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No