Information card for entry 4312218

Structure parameters

• Formula: Cs5 H26 K3 Na4 O82 Pd2 Si2 W19
• Calculated formula: Cs5 K2.5 Na O85 Pd2 Si2 W19
• SMILES: [W]1234([O]56[W]78(O1)(O[W]15(O2)(O[W]259([O]%10[W]%11(O8)(O[W]8%12([O]%13[W]%14(O4)(O[W]4%15([O]([W](O1)(O4)(O5)(O[W]1(O%15)(O[W]45%15([O]%16[W]%17(O5)(O[W]5%18%19([O]%20[W]%21(O[W]%22%23%24([O]%25[W](O4)(O%22)(O[W]4%22([O]%26([W](O%23)(O%21)(O4)(O[W]%26(O%18)(O%17)(O%22)=O)=O)[Si]%16%20%25)(O%15)=O)(=[O][Pd]([O]=%14)([O]=%12)[O]=%24)=O)=O)(O5)(=[O][Pd]([O]=%11)([O]=9)[O]=%19)=O)=O)(O1)=O)=O)(=O)=O)=O)[Si]6%10%13)(O3)=O)(O8)=O)(O7)=O)(O2)=O)=O)=O)=O)=O.[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[K+].[K+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Palladium(II)-Substituted Tungstosilicate [Cs2K(H2O)7Pd2WO(H2O)(A-α-SiW9O34)2]9-
• Authors of publication: Li-Hua Bi; Ulrich Kortz; Bineta Keita; Louis Nadjo; Horst Borrmann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8367 - 8372
• a: 16.6549 ± 0.0002 Å
• b: 19.729 ± 0.0002 Å
• c: 25.995 ± 0.0005 Å
• α: 90°
• β: 95.4596 ± 0.0009°
• γ: 90°
• Cell volume: 8502.8 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No