Information card for entry 7230498

Structure parameters

• Formula: C3 Cs N7 O3
• Calculated formula: C3 Cs N7 O3
• Title of publication: 3-Nitro-4-(tetrazol-5-yl) furazan: theoretical calculations, synthesis and performance
• Authors of publication: Han, Zhiyue; Jiang, Qi; Du, Zhiming; Zhang, Yupeng; Yang, Yuezhen
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 26
• Pages of publication: 14589
• a: 10.376 ± 0.002 Å
• b: 10.128 ± 0.002 Å
• c: 7.6675 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 805.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.689
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No