Information card for entry 2017683

Structure parameters

• Chemical name: tripotassium benzene-1,3,5-tris(trifluoroborate)
• Formula: C6 H3 B3 F9 K3
• Calculated formula: C6 H3 B3 F9 K3
• SMILES: [K+].[K+].[K+].c1(cc(cc(c1)[B](F)(F)F)[B](F)(F)F)[B](F)(F)F
• Title of publication: The twinned crystal structure of tripotassium benzene-1,3,5-tris(trifluoroborate)
• Authors of publication: Franz, Daniel; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m152 - m156
• a: 7.4025 ± 0.0015 Å
• b: 8.9349 ± 0.0018 Å
• c: 11.16 ± 0.002 Å
• α: 68.66 ± 0.03°
• β: 74.28 ± 0.03°
• γ: 71.14 ± 0.03°
• Cell volume: 640.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes