Information card for entry 7057588

Structure parameters

• Formula: C8 H10 N18 O6
• Calculated formula: C8 H10 N18 O6
• Title of publication: A novel facile transformation to 1,2-bis(3-nitro-1-(1H-tetrazol-5-yl)-1H-1,2,4-triazol-5-yl)hydrazine salts
• Authors of publication: Zhao, Baojing; Li, Xingye; Wang, Piaopiao; Ding, Yongzhi; Zhou, Zhiming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 17
• Pages of publication: 14087
• a: 12.368 ± 0.003 Å
• b: 6.1353 ± 0.0012 Å
• c: 13.01 ± 0.003 Å
• α: 90°
• β: 99.24 ± 0.03°
• γ: 90°
• Cell volume: 974.4 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No