Information card for entry 4349152

Structure parameters

• Common name: dikalium_dodekafluorido_closo_dodekaborate
• Chemical name: dikalium_dodekafluorido_closo_dodekaborate_sulfurdioxide_solvate
• Formula: C0 H0 B12 F12 K2 O12 S6
• Calculated formula: B12 F12 K2 O12 S6
• SMILES: [K+].[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=S=O.O=S=O.S(=O)=O.[K+].O=S=O.O=S=O.O=S=O
• Title of publication: Structures of M₂(SO₂)₆B₁₂F₁₂ (M = Ag or K) and Ag₂(H₂O)₄B₁₂F₁₂: Comparison of the Coordination of SO₂ versus H₂O and of B₁₂F₁₂^2- versus Other Weakly Coordinating Anions to Metal Ions in the Solid State.
• Authors of publication: Malischewski, Moritz; Peryshkov, Dmitry V.; Bukovsky, Eric V.; Seppelt, Konrad; Strauss, Steven H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12254 - 12262
• a: 9.377 ± 0.003 Å
• b: 10.327 ± 0.003 Å
• c: 13.725 ± 0.004 Å
• α: 90°
• β: 97.339 ± 0.005°
• γ: 90°
• Cell volume: 1318.2 ± 0.7 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No