Information card for entry 8102987

Structure parameters

• Formula: H50 Na2 O62 W12
• Calculated formula: H50 Na2 O62 W12
• SMILES: [Na]1([O]=[W]234(=O)O[W]567([O]8[W]9(=[O]1)(=O)(O[W]18(O[W]8%10(=O)([O]%11[W]%12(O[W]%13%11([O]%11[W]%14(=O)(O%12)(=O)O[W]%12%15%11(=[O][Na]([O]=[W]%11(=O)(O%13)(O[W]%13(O6)(=O)([O]7[W](O5)(=O)(O%13)([O]%12%11)O%14)O1)O%15)([OH2])([OH2])([OH2])[OH2])=O)(=O)O%10)(=O)(O8)O2)[O]39)(=O)=O)O4)=O)([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Crystal structure of hexakis(μ~3~-hydroxo)-tetra(μ~2~-hydroxo)-octadeca(μ~2~-oxo)-tetradecaoxo-disodium(I) dodecatungsten dodecahydrate, [Na(H2O)4]2(H10W12O42) · 12H2O
• Authors of publication: Zhang, Bi-Song
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 317 - 318
• a: 14.105 ± 0.003 Å
• b: 15.729 ± 0.003 Å
• c: 22.892 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5078.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No