Information card for entry 4324446

Structure parameters

• Common name: diaminouronium 2-methyl-5-nitriminotetrazolate
• Chemical name: diaminouronium 2-methyl-5-nitriminotetrazolate
• Formula: C3 H10 N10 O3
• Calculated formula: C3 H10 N10 O3
• SMILES: O=N([O-])=Nc1nnn(n1)C.N(N)C(=O)N[NH3+]
• Title of publication: N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities
• Authors of publication: Tobias Fendt; Niko Fischer; Thomas M. Klapötke; Jörg Stierstorfer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1447 - 1458
• a: 4.1035 ± 0.0003 Å
• b: 27.597 ± 0.003 Å
• c: 8.1745 ± 0.0005 Å
• α: 90°
• β: 103.105 ± 0.007°
• γ: 90°
• Cell volume: 901.61 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0693
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No