Information card for entry 2221665

Structure parameters

• Common name: Hexamethylenediammonium dinitrate
• Chemical name: Hexane-1,6-diammonium dinitrate
• Formula: C6 H18 N4 O6
• Calculated formula: C6 H18 N4 O6
• SMILES: C([NH3+])CCCCC[NH3+].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Hexane-1,6-diammonium dinitrate
• Authors of publication: van Blerk, Charmaine; Kruger, Gert J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1008
• a: 6.2947 ± 0.0001 Å
• b: 11.6783 ± 0.0003 Å
• c: 8.1211 ± 0.0002 Å
• α: 90°
• β: 92.84 ± 0.001°
• γ: 90°
• Cell volume: 596.26 ± 0.02 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0751
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes