Information card for entry 2232098

Structure parameters

• Common name: 7-Aminoheptylazanium iodide
• Chemical name: 7-Aminoheptylazanium iodide
• Formula: C7 H19 I N2
• Calculated formula: C7 H19 I N2
• SMILES: [I-].NCCCCCCC[NH3+]
• Title of publication: 7-Aminoheptylazanium iodide
• Authors of publication: Reiss, Guido J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2684 - o2685
• a: 5.53418 ± 0.00008 Å
• b: 18.7308 ± 0.0003 Å
• c: 5.5157 ± 0.00008 Å
• α: 90°
• β: 95.2195 ± 0.0014°
• γ: 90°
• Cell volume: 569.385 ± 0.015 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes