Information card for entry 7225141

Structure parameters

• Formula: C5 H6 N10 O2
• Calculated formula: C5 H6 N10 O2
• SMILES: [O-]n1nnnc1c1n(O)nnn1.[nH]1[nH+]ccc1
• Title of publication: Nitrogen-rich Energetic Salts of 1H,1′H-5,5′-Bistetrazole-1,1′-diolate: Synthesis, Characterization, and Thermal Behaviors
• Authors of publication: Shang, Yu; Jin, Bo; Peng, Ru-Fang; Guo, Zhicheng; Liu, Qiangqiang; Zhao, Jun; Zhang, Qingchun
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.042 ± 0.002 Å
• b: 13.882 ± 0.002 Å
• c: 6.7012 ± 0.0012 Å
• α: 90°
• β: 98.155 ± 0.004°
• γ: 90°
• Cell volume: 924.7 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0442
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No