Information card for entry 1566596

Structure parameters

• Chemical name: 1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate
• Formula: C17 H15 B F4 N2
• Calculated formula: C17 H15 B F4 N2
• Title of publication: 1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate
• Authors of publication: Welton, Claire E.; Nesterov, Vladimir N.; Smucker, Bradley W.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 3
• Pages of publication: x220248
• a: 11.426 ± 0.0005 Å
• b: 9.0735 ± 0.0003 Å
• c: 15.5434 ± 0.0005 Å
• α: 90°
• β: 102.118 ± 0.004°
• γ: 90°
• Cell volume: 1575.54 ± 0.1 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.366
• Weighted residual factors for all reflections included in the refinement: 0.3782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.634
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes