Information card for entry 2212127

Structure parameters

• Chemical name: 3-Amino-1-propylammonium perchlorate monohydrate
• Formula: C3 H13 Cl N2 O5
• Calculated formula: C3 H12.99 Cl N2 O5
• Title of publication: 3-Amino-1-propylammonium perchlorate monohydrate
• Authors of publication: Qian, Hui-Fen; Wang, Li; Huang, Wei; Yao, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o817 - o818
• a: 6.9398 ± 0.0011 Å
• b: 16.634 ± 0.003 Å
• c: 7.8543 ± 0.0012 Å
• α: 90°
• β: 113.731 ± 0.002°
• γ: 90°
• Cell volume: 830 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes