Information card for entry 4335264

Structure parameters

• Common name: GuanoTNTz
• Chemical name: guanidinium 5-trinitromethyltetrazolate
• Formula: C3 H6 N10 O6
• Calculated formula: C3 H6 N10 O6
• Title of publication: Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles
• Authors of publication: Ralf Haiges; Karl O. Christe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7249 - 7260
• a: 9.8509 ± 0.0005 Å
• b: 8.8922 ± 0.0004 Å
• c: 24.3416 ± 0.0012 Å
• α: 90°
• β: 100.636 ± 0.001°
• γ: 90°
• Cell volume: 2095.6 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0537
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No