Information card for entry 2239787

Structure parameters

• Chemical name: Potassium trifluorido(4-fluorophenyl)borate
• Formula: C6 H4 B F4 K
• Calculated formula: C6 H4 B F4 K
• SMILES: [K+].c1(ccc(cc1)F)[B](F)(F)F
• Title of publication: Crystal structures of potassium trifluorido(4-methoxyphenyl)borate and potassium trifluorido(4-fluorophenyl)borate
• Authors of publication: Harrison, William T. A.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: 68 - 71
• a: 7.1317 ± 0.0005 Å
• b: 7.3757 ± 0.0005 Å
• c: 29.129 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1532.22 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes