Information card for entry 4301479

Structure parameters

• Formula: H114 Na8 O130 W22 Y2
• Calculated formula: Na8 O131.5 W22 Y2
• SMILES: [W]12345O[W]678(O[W]9%10(O1)(O[W]1(O6)(O[W]6%11%12(O[W]%13%14%15(O[W](O1)(O[W]1([O]2[W]2(O%13)(O1)(=O)=[O][Y]([O]=3)([OH2])([OH2])([OH2])([OH2])([OH2])[O]=[W]13%13%16O[W]%17([O]4[W]4(O%17)(=[O][Y]%17([O]=[W]%18%19%20%21O[W]%22%23%24(O[W]%25(O%18)(O[W]%18(O%22)(O[W]%22%26(O[W]%27%28%29(O[W](O%18)(O%22)(O[W]%18([O]%19[W](O%27)(O%18)(=O)(=[O]%17)O[W]([O]1%20)(O4)(=O)(O3)O%29)(O%23)(=O)=O)(=O)[O]%26%28)=O)(=O)O%16)(=O)[O]%21%24%25)(=O)O%13)=O)([OH2])([OH2])([OH2])([OH2])[OH2])(O%10)O6)(=O)(O%15)O2)(O7)(=O)=O)(=O)([O]%11%14)O%12)=O)=O)(=O)[O]589)=O)=O.[Na+].O.[Na+].O.[Na+].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.[Na+].O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.O.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: 12.5441 ± 0.0017 Å
• b: 14.107 ± 0.002 Å
• c: 17.689 ± 0.003 Å
• α: 71.931 ± 0.009°
• β: 75.018 ± 0.008°
• γ: 83.382 ± 0.007°
• Cell volume: 2872.6 ± 0.8 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: 0.0454
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No