Information card for entry 2008981

Structure parameters

• Formula: C3 H12 Cl2 N2 O8
• Calculated formula: C3 H12 Cl2 N2 O8
• SMILES: [NH3+]CCC[NH3+].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Propane-1,3-diammonium diperchlorate
• Authors of publication: Brooker, Sally; de Geest, Duncan J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1589 - 1591
• a: 7.292 ± 0.002 Å
• b: 14.454 ± 0.004 Å
• c: 9.643 ± 0.003 Å
• α: 90°
• β: 96.673 ± 0.003°
• γ: 90°
• Cell volume: 1009.5 ± 0.5 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes