Information card for entry 2232050

Structure parameters

• Chemical name: 2,4-diamino-6-methyl-1,3,5-triazin-1-ium tetrafluoroborate
• Formula: C4 H8 B F4 N5
• Calculated formula: C4 H8 B F4 N5
• SMILES: [nH+]1c(N)nc(N)nc1C.[B](F)(F)(F)[F-]
• Title of publication: 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium tetrafluoroborate
• Authors of publication: Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2762
• a: 6.9982 ± 0.0003 Å
• b: 8.2887 ± 0.0004 Å
• c: 8.5353 ± 0.0004 Å
• α: 63.931 ± 0.002°
• β: 83.209 ± 0.003°
• γ: 85.057 ± 0.003°
• Cell volume: 441.28 ± 0.04 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0737
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes