Information card for entry 4117031

Structure parameters

• Chemical name: Ammonium dinitramide
• Formula: H4 N4 O4
• Calculated formula: H4 N4 O4
• SMILES: O=N(=O)N=N(=O)[O-].[NH4+]
• Title of publication: A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide
• Authors of publication: Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 9411 - 9416
• a: 6.914 ± 0.001 Å
• b: 11.787 ± 0.003 Å
• c: 5.614 ± 0.001 Å
• α: 90°
• β: 100.4 ± 0.01°
• γ: 90°
• Cell volume: 450 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.0714
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No