Information card for entry 2213571

Structure parameters

• Common name: Nicotinium trifluoroacetate
• Chemical name: Nicotinium trifluoroacetate
• Formula: C8 H6 F3 N O4
• Calculated formula: C8 H6 F3 N O4
• Title of publication: Nicotinium 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: o2656 - o2656
• a: 8.1981 ± 0.0007 Å
• b: 8.6292 ± 0.0008 Å
• c: 8.858 ± 0.0006 Å
• α: 62.036 ± 0.011°
• β: 86.867 ± 0.014°
• γ: 61.818 ± 0.009°
• Cell volume: 476.53 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1487
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes