Information card for entry 7236632

Structure parameters

• Formula: C3 H11 N15 O6
• Calculated formula: C3 H11 N15 O6
• Title of publication: Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials
• Authors of publication: Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 39
• Pages of publication: 20867
• a: 6.6274 ± 0.0011 Å
• b: 9.3787 ± 0.0014 Å
• c: 11.2469 ± 0.0018 Å
• α: 102.272 ± 0.003°
• β: 91.229 ± 0.003°
• γ: 105.997 ± 0.003°
• Cell volume: 654.25 ± 0.18 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No