Information card for entry 4312016

Structure parameters

• Formula: Fe6 H60.8 K2 Na6 O101.4 Si2 W18
• Calculated formula: Fe6 K2 Na6 O101.4 Si2 W18
• SMILES: [Fe]12345[O]=[W]678(=O)O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15%16(=O)(O9)O[W]9%17%18(=O)O[W]%19%20(=O)(O%13)O[W](=O)(O%12)(O6)([O]1[Fe]16%12[O]=[W]%13%21%22(=O)O[W]%23%24%25(=O)O[W]%26%27%28(=O)O[W]%29%30(=O)(O%23)O[W]%23%31%32(=O)O[W]%33%34(=O)(O%27)O[W](=O)(O%26)(O%13)(=[O]5)[O]%12%22[Si]5([O]%25%28%30)[O]%32%34[Fe]([O]=%33)([O]=%31)(O6)(O[Fe]6%12([O]=[W]%13(=O)(O%29)(O%23)O[W](=O)(O%24)(O%21)(=[O]6)[O]5%12%13)(O1)[OH2])[OH2])[O]48[Si]1([O]%11%14%16)[O]%18%20[Fe]([O]=%19)([O]=%17)(O3)(O[Fe]34([O]=[W]5(=O)(O%15)(O9)O[W](=O)(O%10)(O7)(=[O]3)[O]145)(O2)[OH2])[OH2].[K+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[K+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Multi-Iron Silicotungstates: Synthesis, Characterization, and Stability Studies of Polyoxometalate Dimers
• Authors of publication: Travis M. Anderson; Wade A. Neiwert; Kenneth I. Hardcastle; Craig L. Hill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7353 - 7358
• a: 36.903 ± 0.002 Å
• b: 13.9868 ± 0.0009 Å
• c: 21.7839 ± 0.0013 Å
• α: 90°
• β: 122.709 ± 0.001°
• γ: 90°
• Cell volume: 9460.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No