Information card for entry 2001362

Structure parameters

• Common name: Tripotassium Tetrasodium Dihydrogen Decatungstosamarate 22 Hydrate
• Formula: H46 K3 Na4 O58 Sm W10
• Calculated formula: K3 Na4 O58.0001 Sm W10
• SMILES: [W]1234(=O)O[W]567(=O)O[W]89(O1)(=O)O[W]1%10(O2)(=O)O[W](O3)(=O)(O5)([O]4681)[O]=[Sm]123([O]=7)([O]=9)([O]=%10)O=[W]456(=O)O[W]78(=[O]1)(=O)O[W]19(=[O]2)(=O)O[W]2(=[O]3)(=O)(O4)[O]571[W](O6)(O8)(O9)(O2)=O.[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Structure of K~3~Na~4~H~2~[SmW~10~O~36~].22H~2~O
• Authors of publication: Ozeki, T.; Yamase, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 1574 - 1577
• a: 29.894 ± 0.005 Å
• b: 16.072 ± 0.003 Å
• c: 11.446 ± 0.003 Å
• α: 90°
• β: 96.32 ± 0.02°
• γ: 90°
• Cell volume: 5466 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0346
• Goodness-of-fit parameter for significantly intense reflections: 2.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No