Information card for entry 2225530

Structure parameters

• Chemical name: 4-Iodoanilinium perchlorate
• Formula: C6 H7 Cl I N O4
• Calculated formula: C6 H7 Cl I N O4
• SMILES: Ic1ccc([NH3+])cc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: 4-Iodoanilinium perchlorate
• Authors of publication: SiMa, Weiwei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o895
• a: 5.105 ± 0.001 Å
• b: 7.2445 ± 0.0014 Å
• c: 13.359 ± 0.003 Å
• α: 89.47 ± 0.03°
• β: 88.74 ± 0.03°
• γ: 74.61 ± 0.03°
• Cell volume: 476.22 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes