Information card for entry 4320181

Structure parameters

• Formula: As2 Cu3 Na12 O101 W18
• Calculated formula: As2 Cu3 Na12 O101 W18
• SMILES: [W]1234(=O)O[W]567(=O)O[W]89%10(=O)O[W]%11%12%13(=O)O[W]%14%15%16(=O)O[W]%17(O[W]%18%19(=O)(O[W]%20(=O)(O[W](O%18)(=O)(O%14)(O%11)[O]%12%15[As]([O]3%17%19)[O]69%20)(O5)O8)O1)(=O)(O2)=[O][Cu]1([OH2])([O]=%16)[O]=[W]235(=O)O[W]68(=O)(O[W]9%11%12(=O)O[W]%14%15(=O)(O[W]%16%17%18(=O)O[W]%19(=O)(O2)(O[W]2%20(=O)(O[W]%21(=O)(O%16)(O%14)O[W](=O)(O2)(O6)(O9)[O]8%11[As]([O]5%19%20)[O]%15%17%21)O3)=[O][Cu]([OH2])([O]=4)([O]=7)[O]=%18)=[O][Cu]([OH2])([O]=%10)([O]=%13)[O]=%12)=[O]1.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)
• Authors of publication: Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4742 - 4749
• a: 13.4989 ± 0.0009 Å
• b: 20.7463 ± 0.0014 Å
• c: 16.7571 ± 0.0011 Å
• α: 90°
• β: 109.405 ± 0.001°
• γ: 90°
• Cell volume: 4426.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No