Information card for entry 2210807

Structure parameters

• Chemical name: Dipotassium sodium hydrogen dodecatungstogermanate heptahydrate
• Formula: Ge H15 K2 Na O47 W12
• Calculated formula: Ge H8 K2 Na O47 W12
• SMILES: [K+].O.[Na+].O1[W]234(=O)O[W]567(=O)O[W]89(=O)(O[W]%10%11%12([O]%139[Ge]9%14[O]%15%16[W]%17%18%19(=O)O[W]%201(=O)(O[W]1(O3)(=O)(O[W]3%15(=O)(O%18)O[W]%16(=O)(O%12)(O[W]%12(=O)(O%11)(O6)O[W](=O)(O1)(O3)(O5)[O]7%14%12)O%19)[O]49%20)O[W]%13(O8)(=O)(O%17)O%10)=O)O2.O.O.O.O.O.[K+].O
• Title of publication: K~2~NaH[GeW~12~O~40~]·7H~2~O, with a Keggin-type heteropolyoxoanion
• Authors of publication: Han, Qiu-Xia; Wang, Jing-Ping; Song, Li-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: i201 - i203
• a: 19.057 ± 0.003 Å
• b: 19.057 ± 0.003 Å
• c: 12.557 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3949.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes