Information card for entry 4135601

Structure parameters

• Common name: 4-nitro-semicarbazid
• Chemical name: 4-nitro-semicarbazid
• Formula: C H6 N4 O4
• Calculated formula: C H6 N4 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: 9.5532 ± 0.0003 Å
• b: 6.3625 ± 0.0002 Å
• c: 16.3333 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 992.77 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No