Information card for entry 7236634

Structure parameters

• Formula: C2 H7 N11 O3
• Calculated formula: C2 H7 N11 O3
• 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: 6.663 ± 0.009 Å
• b: 16.418 ± 0.017 Å
• c: 16.589 ± 0.017 Å
• α: 90°
• β: 99.96 ± 0.03°
• γ: 90°
• Cell volume: 1787 ± 4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• 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: 0.0809
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No