Information card for entry 2226195

Structure parameters

• Chemical name: 4-iodoanilinium nitrate
• Formula: C6 H7 I N2 O3
• Calculated formula: C6 H7 I N2 O3
• SMILES: Ic1ccc([NH3+])cc1.N(=O)(=O)[O-]
• Title of publication: 4-Iodoanilinium nitrate
• Authors of publication: Fu, Xue-qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1326
• a: 21.847 ± 0.004 Å
• b: 5.6103 ± 0.0011 Å
• c: 15.928 ± 0.003 Å
• α: 90°
• β: 110.11 ± 0.03°
• γ: 90°
• Cell volume: 1833.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes