Information card for entry 2011950

Structure parameters

• Formula: C27 H15 B F15 N O
• Calculated formula: C27 H15 B F15 N O
• SMILES: [B-](O)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[NH+](c1c(cccc1)C)(C)C
• Title of publication: Dimethyl(2-methylphenyl)ammonium hydroxotris(pentafluorophenyl)borate
• Authors of publication: Stibrany, Robert T.; Brant, Patrick
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 644 - 645
• a: 10.552 ± 0.005 Å
• b: 15.287 ± 0.002 Å
• c: 16.072 ± 0.009 Å
• α: 90°
• β: 96.6 ± 0.05°
• γ: 90°
• Cell volume: 2575.4 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes