Information card for entry 7710485

Structure parameters

• Formula: C2 H7 N6 O3.5
• Calculated formula: C2 H7 N6 O3.5
• SMILES: c1(C(=O)N[NH3+])n(nnn1)[O-].O.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: 8.5771 ± 0.0004 Å
• b: 8.9197 ± 0.0004 Å
• c: 9.7491 ± 0.0005 Å
• α: 70.68 ± 0.001°
• β: 71.552 ± 0.001°
• γ: 77.668 ± 0.001°
• Cell volume: 662.73 ± 0.05 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: 0.0447
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No