Information card for entry 7710729

Structure parameters

• Common name: 2,5-diaminotetrazolium perchlorate
• Chemical name: 2,5-diaminotetrazolium perchlorate
• Formula: C H5 Cl N6 O4
• Calculated formula: C H5 Cl N6 O4
• SMILES: n1n(n[nH+]c1N)N.Cl(=O)(=O)(=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: 7.1662 ± 0.0004 Å
• b: 7.1311 ± 0.0004 Å
• c: 13.713 ± 0.0007 Å
• α: 90°
• β: 93.776 ± 0.005°
• γ: 90°
• Cell volume: 699.25 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No