Information card for entry 7225139

Structure parameters

• Formula: C3 H5 N7 O
• Calculated formula: C3 H4 N7 O
• 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: 15.241 ± 0.0012 Å
• b: 10.5185 ± 0.0008 Å
• c: 7.7546 ± 0.0007 Å
• α: 90°
• β: 100.767 ± 0.008°
• γ: 90°
• Cell volume: 1221.27 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No