Information card for entry 7710730

Structure parameters

• Common name: 2,5-diamino-4-methyltetrazolium perchlorate
• Chemical name: 2,5-diamino-4-methyltetrazolium perchlorate
• Formula: C2 H7 Cl N6 O4
• Calculated formula: C2 H7 Cl N6 O4
• SMILES: Cl(=O)(=O)(=O)[O-].n1(nc([n+](n1)C)N)N
• 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: 5.412 ± 0.0005 Å
• b: 13.2511 ± 0.001 Å
• c: 10.9977 ± 0.0008 Å
• α: 90°
• β: 97.321 ± 0.007°
• γ: 90°
• Cell volume: 782.27 ± 0.11 ų
• Cell temperature: 101 K
• Ambient diffraction temperature: 101 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No