Information card for entry 4324441

Structure parameters

• Common name: guanidinium 2-methyl-5-nitriminotetrazolate
• Chemical name: guanidinium 2-methyl-5-nitriminotetrazolate
• Formula: C3 H9 N9 O2
• Calculated formula: C3 H9 N9 O2
• SMILES: O=N([O-])=Nc1nnn(n1)C.NC(=[NH2+])N
• Title of publication: N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities
• Authors of publication: Tobias Fendt; Thomas M. Klapötke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1447 - 1458
• a: 3.6562 ± 0.0003 Å
• b: 8.1552 ± 0.0008 Å
• c: 13.9458 ± 0.0011 Å
• α: 90°
• β: 95.919 ± 0.008°
• γ: 90°
• Cell volume: 413.61 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No