Information card for entry 2103602

Structure parameters

• Common name: potassium dinitramide
• Formula: K N3 O4
• Calculated formula: K N3 O4
• SMILES: [K+].O=N([O-])=NN(=O)=O
• Title of publication: Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study
• Authors of publication: Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 113 - 118
• a: 6.601 ± 0.0003 Å
• b: 9.1253 ± 0.0005 Å
• c: 7.1657 ± 0.0004 Å
• α: 90°
• β: 97.89 ± 0.001°
• γ: 90°
• Cell volume: 427.55 ± 0.04 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0356
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.0697
• Goodness-of-fit parameter for all reflections: 1.039
• 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: Yes