Information card for entry 4117033

Structure parameters

• Chemical name: Potassium dinitramide
• Formula: K N3 O4
• Calculated formula: K N3 O4
• SMILES: [K+].N(=N([O-])=O)N(=O)=O
• 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: 6.614 ± 0.001 Å
• b: 9.28 ± 0.002 Å
• c: 7.198 ± 0.001 Å
• α: 90°
• β: 97.58 ± 0.01°
• γ: 90°
• Cell volume: 437.94 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for all reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.0798
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No