Information card for entry 4301475

Structure parameters

• Formula: Er2 H110 Na8 O129 W22
• Calculated formula: Er2 Na8 O129 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)(O%17)(O%13)=O)(O%10)[O]%12%14)(O[W](O%11)(=O)([O]2%21)(O7)=[O][Er]([O]=5)([O]=[W]257(O[W]%10%11%12([O]2[W]2%13%14%17O[W]%21%22%23(O[W]%24(O2)(O[W]2(O%21)(O[W]%21%25(O[W]%26%27(O[W](O2)(O%21)(O[W]2(O%22)(O[W](O%26)(=[O][Er]([O]=%13)([O]=[W]6(O8)(O%10)(O[W](O%16)([O]1%18%19)(O4)(O%20)=O)O%15)([OH2])([OH2])([OH2])([OH2])[OH2])([OH2])([O]%172)[O]=%12)(=O)=O)(=O)[O]%25%27)(=O)O%11)(=O)O7)(=O)[O]%14%23%24)(=O)O5)=O)=O)O9)([OH2])([OH2])([OH2])([OH2])[OH2])(=O)=O)(O3)=O)=O)=O)=O.[Na+].[Na+].O.O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.[Na+].O.O.[Na+].[Na+].O.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: 12.546 ± 0.004 Å
• b: 14.124 ± 0.005 Å
• c: 17.72 ± 0.006 Å
• α: 72.166 ± 0.018°
• β: 75.056 ± 0.017°
• γ: 83.375 ± 0.016°
• Cell volume: 2885.7 ± 1.7 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: 0.1739
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2335
• Weighted residual factors for all reflections included in the refinement: 0.2794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No