Information card for entry 4324442

Structure parameters

• Common name: triaminoguanidinium 2-methyl-5-nitriminotetrazolate
• Chemical name: 1,3,5-triaminoguanidinium 2-methyl-5-nitriminotetrazolate
• Formula: C3 H12 N12 O2
• Calculated formula: C3 H12 N12 O2
• SMILES: O=N(=O)N=c1[n-]n(nn1)C.N(N)C(NN)=[NH+]N
• 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: 6.917 ± 0.0004 Å
• b: 7.5831 ± 0.0005 Å
• c: 11.0147 ± 0.0007 Å
• α: 97.315 ± 0.005°
• β: 106.03 ± 0.005°
• γ: 104.979 ± 0.005°
• Cell volume: 523.99 ± 0.06 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: 0.0372
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No