Information card for entry 8106575

Structure parameters

• Common name: 3-aminopropylazanium iodide
• Chemical name: 3-aminopropan-1-aminium iodide
• Formula: C3 H11 I N2
• Calculated formula: C3 H11 I N2
• Title of publication: The crystal structure of 3-aminopropan-1-aminium iodide, C3H11N2I
• Authors of publication: Arderne, Charmaine; Batchelor, Kyle F.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 477 - 478
• a: 5.0152 ± 0.0002 Å
• b: 10.147 ± 0.0004 Å
• c: 14.1852 ± 0.0005 Å
• α: 90°
• β: 96.501 ± 0.002°
• γ: 90°
• Cell volume: 717.23 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No