Information card for entry 7250682

Structure parameters

• Formula: C12 H28 N6 O7
• Calculated formula: C12 H28 N6 O7
• Title of publication: Improving the anti-hygroscopicity and safety of hydroxylamine pentazolate salt (NH3OH+N5−) by cocrystallization
• Authors of publication: Chen, Lei; Shen, Zhili; Kong, Deren; Zhang, Chong; Hu, Bingcheng; Gao, Chao
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 31
• Pages of publication: 5312 - 5318
• a: 8.7794 ± 0.0003 Å
• b: 10.2396 ± 0.0004 Å
• c: 20.7518 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1865.54 ± 0.12 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No