Information card for entry 2238034

Structure parameters

• Chemical name: 2-Amino-5-nitropyridinium trifluoroacetate
• Formula: C14 H12 F6 N6 O8
• Calculated formula: C14 H12 F6 N6 O8
• Title of publication: 2-Amino-5-nitropyridinium trifluoroacetate
• Authors of publication: Jovita, Josephine Viavulamary; Sathya, Shanmugam; Usha, Govindasamy; Vasanthi, Ramachandran; Ezhilarasi, Krishnan Sarada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o841 - o842
• a: 19.1388 ± 0.0007 Å
• b: 10.7716 ± 0.0004 Å
• c: 10.0707 ± 0.0003 Å
• α: 90°
• β: 104.668 ± 0.002°
• γ: 90°
• Cell volume: 2008.47 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes