Information card for entry 4103603

Structure parameters

• Common name: 1,3-diaminoguanidinium 5-nitrotetrazolate-N-oxide
• Chemical name: 1,3-diaminoguanidinium 5-nitrotetrazolate-N-oxide
• Formula: C2 H8 N10 O3
• Calculated formula: C2 H8 N10 O3
• 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: 6.4344 ± 0.0006 Å
• b: 8.0055 ± 0.0007 Å
• c: 8.516 ± 0.0008 Å
• α: 90.218 ± 0.007°
• β: 94.461 ± 0.007°
• γ: 97.519 ± 0.007°
• Cell volume: 433.53 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No