Information card for entry 7132743

Structure parameters

• Chemical name: 4-(diphenylamino)pyridin-1-ium tetrafluoroborate
• Formula: C17 H15 B F4 N2
• Calculated formula: C17 H15 B F4 N2
• SMILES: [B](F)(F)(F)[F-].N(c1ccccc1)(c1ccccc1)c1cc[nH+]cc1
• Title of publication: A multi-chromic boron trifluoride-pyridyl Lewis adduct.
• Authors of publication: McDonald, Peter W.; Ritchie, Chris
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 22
• Pages of publication: 3051 - 3054
• a: 10.3062 ± 0.0001 Å
• b: 7.7018 ± 0.0001 Å
• c: 10.3247 ± 0.0001 Å
• α: 90°
• β: 101.056 ± 0.001°
• γ: 90°
• Cell volume: 804.326 ± 0.015 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No