Information card for entry 2011739

Structure parameters

• Common name: 1,5-diaminotetrazole
• Chemical name: 1,5-diaminotetrazole
• Formula: C H4 N6
• Calculated formula: C H4 N6
• SMILES: n1(nnnc1N)N
• Title of publication: 1,5-Diamino-1<i>H</i>-1,2,3,4-tetrazole
• Authors of publication: Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 185 - 186
• a: 6.78 ± 0.001 Å
• b: 6.112 ± 0.001 Å
• c: 10.694 ± 0.002 Å
• α: 90°
• β: 107.25 ± 0.01°
• γ: 90°
• Cell volume: 423.22 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes