Information card for entry 7202108

Structure parameters

• Common name: triaminoguanidinium dinitramide
• Chemical name: triaminoguanidinium dinitramide
• Formula: C H9 N9 O4
• Calculated formula: C H9 N9 O4
• SMILES: O=N(=O)N=N([O-])=O.N(N)C(=[NH+]N)NN
• Title of publication: Triaminoguanidinium dinitramide—calculations, synthesis and characterization of a promising energetic compound
• Authors of publication: Klapötke, Thomas M.; Stierstorfer, Jörg
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 29
• Pages of publication: 4340 - 4346
• a: 12.5217 ± 0.0003 Å
• b: 8.1036 ± 0.0002 Å
• c: 16.9859 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1723.57 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0455
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No