Information card for entry 7710727

Structure parameters

• Common name: 2,5-diamino-4-methyltetrazolium nitrate
• Chemical name: 2,5-diamino-4-methyltetrazolium nitrate
• Formula: C2 H7 N7 O3
• Calculated formula: C2 H7 N7 O3
• SMILES: n1n(n[n+](c1N)C)N.O=N(=O)[O-]
• Title of publication: Chemistry of 2,5-diaminotetrazole.
• Authors of publication: Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 7.6448 ± 0.0005 Å
• b: 8.8744 ± 0.0007 Å
• c: 10.6105 ± 0.0007 Å
• α: 90°
• β: 103.315 ± 0.007°
• γ: 90°
• Cell volume: 700.5 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No