Information card for entry 2219524

Structure parameters

• Chemical name: 4-Cyanoanilinium perchlorate
• Formula: C7 H7 Cl N2 O4
• Calculated formula: C7 H7 Cl N2 O4
• SMILES: [NH3+]c1ccc(C#N)cc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: 4-Cyanoanilinium perchlorate
• Authors of publication: Dai, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2025
• a: 4.9905 ± 0.001 Å
• b: 6.9465 ± 0.0014 Å
• c: 13.998 ± 0.003 Å
• α: 94.87 ± 0.03°
• β: 95.68 ± 0.03°
• γ: 103.99 ± 0.03°
• Cell volume: 465.57 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes