Information card for entry 4324445

Structure parameters

• Common name: diaminoguanidinium 2-methyl-5-nitriminotetrazolate
• Chemical name: diaminoguanidinium 2-methyl-5-nitriminotetrazolate
• Formula: C3 H11 N11 O2
• Calculated formula: C3 H11 N11 O2
• SMILES: O=N([O-])=Nc1nn(nn1)C.N(N)C(=[NH2+])NN
• 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: 17.4021 ± 0.0014 Å
• b: 8.3403 ± 0.0007 Å
• c: 14.7111 ± 0.0013 Å
• α: 90°
• β: 111.581 ± 0.009°
• γ: 90°
• Cell volume: 1985.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No