Information card for entry 4514421

Structure parameters

• Formula: H7 N5 O2
• Calculated formula: H7 N5 O2
• SMILES: O[NH3+].[O-][NH3+].[N-]=N#N
• Title of publication: A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)
• Authors of publication: Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M.
• Journal of publication: ACS Applied Energy Materials
• Year of publication: 2019
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 6919
• a: 19.9594 ± 0.0004 Å
• b: 3.5553 ± 0.0001 Å
• c: 19.0219 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1349.83 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No