Information card for entry 2011945

Structure parameters

• Formula: B H32 K5 O56 W12
• Calculated formula: B K2 O54 W12
• SMILES: [W]1234(O[W]567(=O)O[W]89%10(=O)O[W]%11%12(=O)(O4)O[W]4%13(=O)(O3)O[W]3%14%15(=O)O[W]%16%17(=O)(O[W]%18%19%20(=O)O[W]%21%22(=O)(O%15)O[W](=O)(O1)(O6)([O]27[B]([O]%10%12[W](=O)(O%16)(O9)(O%11)O%18)([O]%13%14%17)[O]%20%22[W](O5)(O8)(=O)(O%19)O%21)O3)O4)=O.[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Pentapotassium dodecatungstoborate(III) hexadecahydrate
• Authors of publication: Fletcher, Heath; Allen, Christine C.; Burns, Robert C.; Craig, Donald C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 505 - 507
• a: 18.97 ± 0.004 Å
• b: 18.97 ± 0.004 Å
• c: 12.414 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3868.8 ± 1.9 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• 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 significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.54
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No