Information card for entry 4301473

Structure parameters

• Formula: Dy2 H100 Na8 O131 W22
• Calculated formula: Dy2 Na8 O131 W22
• SMILES: [W]12345[O]6[W]789(O[W]%10%11%12(O[W]%13%14%15(O[W]%16%17%18(O[W]%19%20(O[W]%21(O[W](O%17)(O%13)(O%10)(=O)[O]%12%14)(O[W](O%11)(=O)([O]2%21)(O7)=[O][Dy]([O]=[W]27%10(O[W]%11%12%13(O[W]6(O8)(=[O][Dy]6([O]=[W]8%14%17(O[W]%21%22%23(O[W]%24(O8)(O[W]8(O%21)(O[W]%21%25(O[W]%26%27(O[W](O8)(O%21)(O[W]8(O%22)(O[W](O%26)(=O)([O]%178)(O%13)=[O]6)(=O)=O)(=O)[O]%25%27)(=O)O%12)(=O)O%10)(=O)[O]%14%23%24)(=O)O7)=O)[O]2%11)([OH2])([OH2])([OH2])([OH2])[OH2])(O[W](O%16)([O]1%18%19)(O4)(O%20)=O)O%15)=O)O9)([O]=5)([OH2])([OH2])([OH2])([OH2])[OH2])(=O)=O)(O3)=O)=O)=O)=O)=O.[Na+].O.O.O.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.O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].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: 12.57 ± 0.003 Å
• b: 14.176 ± 0.003 Å
• c: 17.714 ± 0.005 Å
• α: 71.874 ± 0.011°
• β: 75.026 ± 0.011°
• γ: 83.379 ± 0.01°
• Cell volume: 2895.9 ± 1.3 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: 0.0645
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No