Information card for entry 7710484

Structure parameters

• Formula: C3 H14 N12 O3
• Calculated formula: C3 H14 N12 O3
• SMILES: c1(C(=O)NN)n(nnn1)[O-].C(=[NH+]N)(NN)NN.O
• Title of publication: Nitrogen-rich ion salts of 1-hydroxytetrazole-5-hydrazide: a new series of high energy compounds that combine good stability and high energy performance
• Authors of publication: Yang, Feng; Qin, Yaqi; Wang, Pengcheng; Lin, Qiuhan; Xu, Yuangang; Lu, Ming
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.2673 ± 0.0005 Å
• b: 7.5778 ± 0.0005 Å
• c: 11.4906 ± 0.0007 Å
• α: 99.301 ± 0.002°
• β: 99.086 ± 0.002°
• γ: 113.948 ± 0.002°
• Cell volume: 552.91 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No