Information card for entry 2213560

Structure parameters

• Common name: nicotinamidium trifluoroacetate
• Chemical name: 3-(Aminocarbonyl)pyridinium trifluoroacetate
• Formula: C8 H7 F3 N2 O3
• Calculated formula: C8 H7 F3 N2 O3
• Title of publication: 3-(Aminocarbonyl)pyridinium trifluoroacetate
• Authors of publication: S. Athimoolam; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2430 - o2432
• a: 10.045 ± 0.006 Å
• b: 10.138 ± 0.008 Å
• c: 10.51 ± 0.007 Å
• α: 90°
• β: 112.42 ± 0.04°
• γ: 90°
• Cell volume: 989.4 ± 1.2 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: 0.161
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes