Information card for entry 2238205

Structure parameters

• Chemical name: 2-Methyl-1,2,4-triazolo[4,3-<i>a</i>]pyridin-2-ium tetrafluoroborate
• Formula: C7 H8 B F4 N3
• Calculated formula: C7 H8 B F4 N3
• SMILES: [B](F)(F)(F)[F-].n12c[n+](nc1cccc2)C
• Title of publication: 2-Methyl-1,2,4-triazolo[4,3-<i>a</i>]pyridin-2-ium tetrafluoroborate
• Authors of publication: Wei, Siping; Wang, Li; Wang, Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1051
• a: 7.1508 ± 0.001 Å
• b: 12.307 ± 0.0018 Å
• c: 21.431 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1886 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes