Information card for entry 2219021

Structure parameters

• Chemical name: 4-(2-Nitrobenzenesulfonamido)pyridinium trifluoroacetate
• Formula: C13 H10 F3 N3 O6 S
• Calculated formula: C13 H10 F3 N3 O6 S
• Title of publication: 4-(2-Nitrobenzenesulfonamido)pyridinium trifluoroacetate
• Authors of publication: Li, Jiang-Sheng; Fan, Mei-Lian; Li, Wen-Sheng; Liu, Wei-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1459
• a: 10.666 ± 0.003 Å
• b: 5.0619 ± 0.0016 Å
• c: 14.848 ± 0.005 Å
• α: 90°
• β: 92.823 ± 0.006°
• γ: 90°
• Cell volume: 800.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes