Information card for entry 7239517

Structure parameters

• Formula: C H5 Cl N6
• Calculated formula: C H5 Cl N6
• Title of publication: Nitrogen-rich salts based on 5-hydrazino-1H-tetrazole: a new family of high-density energetic materials
• Authors of publication: Lin, Qiu-Han; Li, Yu-Chuan; Qi, Cai; Liu, Wei; Wang, Yuan; Pang, Si-Ping
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 23
• Pages of publication: 6776
• a: 4.838 ± 0.002 Å
• b: 23.956 ± 0.01 Å
• c: 4.936 ± 0.002 Å
• α: 90°
• β: 107.152 ± 0.006°
• γ: 90°
• Cell volume: 546.6 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No