Information card for entry 2223325

Structure parameters

• Chemical name: 2-Cyanoanilinium tetrafluoroborate
• Formula: C7 H7 B F4 N2
• Calculated formula: C7 H7 B F4 N2
• SMILES: [B](F)(F)(F)[F-].[NH3+]c1c(C#N)cccc1
• Title of publication: 2-Cyanoanilinium tetrafluoroborate
• Authors of publication: Zhang, Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2373
• a: 10.971 ± 0.002 Å
• b: 7.3565 ± 0.0015 Å
• c: 11.022 ± 0.002 Å
• α: 90°
• β: 103.11 ± 0.03°
• γ: 90°
• Cell volume: 866.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.08
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes