Information card for entry 4103598

Structure parameters

• Common name: HNTX
• Chemical name: hydroxylammonium 5-nitro-2H-tetrazol-2-olate
• Formula: C H4 N6 O4
• Calculated formula: C H4 N6 O4
• SMILES: c1(nn(nn1)[O-])N(=O)=O.[NH3+]O
• Title of publication: Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction
• Authors of publication: Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17216 - 17226
• a: 8.489 ± 0.005 Å
• b: 12.341 ± 0.005 Å
• c: 5.626 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.221 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 589.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No