Information card for entry 7240922

Structure parameters

• Formula: C2 H4 N6 Na O3
• Calculated formula: C2 H4 N6 Na O3
• 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: 3.752 ± 0.002 Å
• b: 7.27 ± 0.004 Å
• c: 12.06 ± 0.007 Å
• α: 106.15 ± 0.009°
• β: 90.023 ± 0.01°
• γ: 98.389 ± 0.008°
• Cell volume: 312.3 ± 0.3 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: 0.0727
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No