Information card for entry 7122698

Structure parameters

• Common name: hexanitrohexaazaisowurtzitane and nitrous oxide
• Chemical name: HNIW-N2O
• Formula: C12 H12 N26 O25
• Calculated formula: C12 H12 N26 O25
• Title of publication: Host-guest energetic materials constructed by incorporating oxidizing gas molecule into organic lattice cavity toward high-energetic and low-sensitive performance
• Authors of publication: Xu, Jinjiang; Zheng, Shensheng; Huang, Shiliang; Tian, Yong; Liu, Yu; Zhang, Haobin; Sun, Jie
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 9.5768 ± 0.0017 Å
• b: 13.256 ± 0.002 Å
• c: 23.625 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2999.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No