Information card for entry 4103602

Structure parameters

• Common name: ANTX
• Chemical name: ammonium 5-nitro-2H-tetrazol-2-olate
• Formula: C H4 N6 O3
• Calculated formula: C H4 N6 O3
• SMILES: c1(nn(nn1)[O-])N(=O)=O.[NH4+]
• 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: 9.3989 ± 0.0004 Å
• b: 7.9263 ± 0.0003 Å
• c: 15.2618 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1136.98 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No