Information card for entry 7120267

Structure parameters

• Formula: C3 H2 Ag N5 O6
• Calculated formula: C3 H2 Ag N5 O6
• Title of publication: Self-assembly of silver(I)-based high-energy metal-organic frameworks (HE-MOFs) at ambient temperature and pressure: synthesis, structure and superior explosive performance
• Authors of publication: Shen, Cheng; liu, yang; Zhu, Zhongqin; Xu, Yuangang; Lu, Ming
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.346 ± 0.002 Å
• b: 5.3225 ± 0.0011 Å
• c: 14.977 ± 0.003 Å
• α: 90°
• β: 101.245 ± 0.003°
• γ: 90°
• Cell volume: 808.9 ± 0.3 ų
• Cell temperature: 205 K
• Ambient diffraction temperature: 205 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No