Information card for entry 4103154

Structure parameters

• Common name: potassium dodecafluoro-closo-dodecaborate(2-) tetrahydrate
• Formula: B12 F12 H8 K2 O4
• Calculated formula: B12 F12 H8 K2 O4
• SMILES: [B]1234([B]567([B]891([B]1%102([B]2%113([B]345(F)[B]45%11([B]%11%12%13([B]124([B]9%10%13([B]78%12([B]635%11F)F)F)F)F)F)F)F)F)F)F.O.O.O.O.[K+].[K+]
• Title of publication: Latent Porosity in Potassium Dodecafluoro-closo-dodecaborate(2-). Structures and Rapid Room Temperature Interconversions of Crystalline K2B12F12, K2(H2O)2B12F12, and K2(H2O)4B12F12 in the Presence of Water Vapor
• Authors of publication: Dmitry V. Peryshkov; Alexey A. Popov; Steven H. Strauss
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13902 - 13913
• a: 8.3988 ± 0.0003 Å
• b: 8.5982 ± 0.0004 Å
• c: 12.7454 ± 0.0005 Å
• α: 98.83 ± 0.002°
• β: 102.056 ± 0.002°
• γ: 104.958 ± 0.002°
• Cell volume: 848.39 ± 0.06 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No