Information card for entry 2015939

Structure parameters

• Chemical name: 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium trifluoroacetate
• Formula: C6 H8 F3 N5 O2
• Calculated formula: C6 H8 F3 N5 O2
• Title of publication: 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium trifluoroacetate
• Authors of publication: Genivaldo Júlio Perpétuo; Jan Janczak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o271 - o273
• a: 10.384 ± 0.002 Å
• b: 8.187 ± 0.001 Å
• c: 13.013 ± 0.003 Å
• α: 90°
• β: 111.75 ± 0.02°
• γ: 90°
• Cell volume: 1027.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes