Information card for entry 7052926

Structure parameters

• Formula: C2 H4 N12
• Calculated formula: C2 H4 N12
• SMILES: c1(nnnn1N)/N=N/c1nnnn1N
• Title of publication: 1,1′-Diamino-5,5′-azotetrazole: a nitrogen rich compound
• Authors of publication: Li, Fang; Cong, Xiaomin; Du, Zhiming; He, Chunlin; Zhao, Linshuang; Meng, Lingqiao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 10
• Pages of publication: 1953
• a: 6.485 ± 0.004 Å
• b: 5.583 ± 0.003 Å
• c: 10.854 ± 0.006 Å
• α: 90°
• β: 90.786 ± 0.008°
• γ: 90°
• Cell volume: 392.9 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No