Information card for entry 2236579

Structure parameters

• Chemical name: 4-Cyanoanilinium iodide
• Formula: C7 H7 I N2
• Calculated formula: C7 H7 I N2
• Title of publication: 4-Cyanoanilinium iodide
• Authors of publication: Mague, Joel T.; Vumbaco, David J.; Kammer, Michael N.; Koplitz, Lynn V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2623
• a: 4.993 ± 0.0004 Å
• b: 4.993 ± 0.0004 Å
• c: 16.445 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 409.97 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0115
• Residual factor for significantly intense reflections: 0.0115
• Weighted residual factors for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.0292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes