Information card for entry 7225140

Structure parameters

• Formula: C10 H18 N12 O4
• Calculated formula: C10 H18 N12 O4
• SMILES: c1(n(nnn1)[O-])c1n(nnn1)[O-].c1c[nH]c(C)[nH+]1.O.c1c[nH]c(C)[nH+]1.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: 5.386 ± 0.0005 Å
• b: 7.2676 ± 0.0006 Å
• c: 11.1149 ± 0.0011 Å
• α: 106.362 ± 0.007°
• β: 92.344 ± 0.013°
• γ: 104.613 ± 0.009°
• Cell volume: 401 ± 0.07 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0329
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No