Information card for entry 4135602

Structure parameters

• Common name: sodium nitrocarbamoylazide monohydrate
• Chemical name: sodium nitrocarbamoylazide monohydrate
• Formula: C H2 N5 Na O4
• Calculated formula: C H2 N5 Na O4
• Title of publication: Nitrocarbamoyl Azide O₂NN(H)C(O)N₃: A Stable but Highly Energetic Member of the Carbonyl Azide Family.
• Authors of publication: Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 3
• Pages of publication: 1323 - 1327
• a: 11.9484 ± 0.0009 Å
• b: 3.6295 ± 0.0002 Å
• c: 14.0899 ± 0.001 Å
• α: 90°
• β: 105.13 ± 0.008°
• γ: 90°
• Cell volume: 589.85 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No