Information card for entry 7240921

Structure parameters

• Formula: C2 H8 N6 Na O5
• Calculated formula: C2 H8 N6 Na O5
• Title of publication: Constructing 3D layered energetic metal-organic framework with strong stacking interactions of hydrogen-bridged rings: the way to insensitive high energy complex
• Authors of publication: Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Gao, Rong; Zhang, Jianguo; Ma, Haixia
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 6.45 ± 0.005 Å
• b: 6.733 ± 0.007 Å
• c: 10.676 ± 0.007 Å
• α: 84.312 ± 0.014°
• β: 78.116 ± 0.014°
• γ: 68.519 ± 0.014°
• Cell volume: 422 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No