Information card for entry 2225430

Structure parameters

• Chemical name: 2-Amino-5-bromopyridinium trifluoroacetate
• Formula: C7 H6 Br F3 N2 O2
• Calculated formula: C7 H6 Br F3 N2 O2
• Title of publication: 2-Amino-5-bromopyridinium trifluoroacetate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o775
• a: 17.5852 ± 0.0013 Å
• b: 11.301 ± 0.0009 Å
• c: 5.1264 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1018.77 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes