Information card for entry 4317568

Structure parameters

• Formula: As2 Fe4 H84 Na6 O108 W18
• Calculated formula: As2 Fe4 Na6 O108 W18
• SMILES: [W]12345O[W]678(=O)O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15(O6)(O9)(=O)[O]%10%14[As]6[O]28[W]2(O7)(O4)(O[W]47(O%11)(O[W]89(O%13)(O[W](O2)(O4)(=O)([O]678)=[O][Fe]2([OH2])([OH2])([O]=[W]467(O[W]8%10%11(O[W]%13%14%16(O[W]%17%18%19(O[W](O8)(O%13)(=O)([O]%16%19[As]8[O]6%10[W]6(O4)(O[W]4%10(O[W]%13(O[W](O6)(O4)(=O)([O]8%10%13)=[O]2)(=O)(O%18)=[O][Fe]([O]=1)([OH2])([OH2])([OH2])[O]=%17)(=O)O%14)(=O)O%11)=[O][Fe]([OH2])([O]=3)([O]=%15)([OH2])[O]=7)=O)=O)=O)=[O][Fe]([OH2])([OH2])([OH2])([O]=%12)[O]=9)[O]=5)=O)=O)=O.[Na+].O.O.[Na+].O.O.O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and Characterization of Iron()-Substituted, Dimeric Polyoxotungstates, [Fe~4~(H~2~O)~10~(β-XW~9~O~33~)~2~]^n-^ (n = 6, X = As^III^, Sb^III^; n = 4, X = Se^IV^, Te^IV^)
• Authors of publication: Ulrich Kortz; Masha G. Savelieff; Bassem S. Bassil; Bineta Keita; Louis Nadjo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 783 - 789
• a: 20.2493 ± 0.0018 Å
• b: 15.2678 ± 0.0013 Å
• c: 16.0689 ± 0.0014 Å
• α: 90°
• β: 95.766 ± 0.002°
• γ: 90°
• Cell volume: 4942.8 ± 0.7 ų
• Cell temperature: 167 ± 2 K
• Ambient diffraction temperature: 167 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No