Information card for entry 2242176

Structure parameters

• Chemical name: Triphenylphosphoniummethylenetrifluoroborate
• Formula: C19 H17 B F3 P
• Calculated formula: C19 H17 B F3 P
• SMILES: [P+](C[B](F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of triphenylphosphoniummethylenetrifluoroborate
• Authors of publication: Bateman, Christopher M.; Zakharov, Lev N.; Abbey, Eric R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• Pages of publication: 1140 - 1142
• a: 9.514 ± 0.002 Å
• b: 9.87 ± 0.003 Å
• c: 9.883 ± 0.003 Å
• α: 64.609 ± 0.006°
• β: 87.539 ± 0.007°
• γ: 86.66 ± 0.007°
• Cell volume: 836.8 ± 0.4 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: 0.0758
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes