Information card for entry 4311181

Structure parameters

• Formula: Cs5 H59 K Na6 O92.5 Pd3 Sb2 W18
• Calculated formula: Cs5 K Na3 O95.5 Pd3 Sb2 W18
• SMILES: [W]1234(O[W]567(O[W]89%10([O]%117[W]7(O5)(O9)(O[W]59%12(O[W]%13(O6)(O3)(O[W]36([O]5%13[Sb]%11[O]2[W]2(O1)(O8)(O[W](O4)(O3)(=O)=[O][Pd]1([O]=2)[O]=[W]234(O[W]58%11(O[W]%13%14([O]%158[W]8(O5)(O%14)(O[W]5%14(O2)([O]24[Sb]%15[O]4%15[W]%16%17(O[W]2(O3)(O5)(=O)=[O]1)(O[W]4(O%13)(=O)(O[W]%15(O8)(O%16)(O%14)=O)=[O][Pd]([O]=6)([O]=%12)[O]=%17)=O)=O)=O)(=O)=[O][Pd]([O]=%10)([O]=7)[O]=%11)=O)=O)=O)(O9)=O)=O)=O)=O)=O)=O)=O.[Cs+].[Cs+].[Cs+].[K+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Cs+].[Cs+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: First Structurally Characterized Palladium(II)-Substituted Polyoxoanion: [Cs~2~Na(H~2~O)~10~Pd~3~(α-Sb^III^W~9~O~33~)~2~]^9-^
• Authors of publication: Li-Hua Bi; Markus Reicke; Ulrich Kortz; Bineta Keita; Louis Nadjo; Ronald J. Clark
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3915 - 3920
• a: 13.3963 ± 0.0013 Å
• b: 19.597 ± 0.0019 Å
• c: 18.1723 ± 0.0017 Å
• α: 90°
• β: 100.416 ± 0.002°
• γ: 90°
• Cell volume: 4692.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No