Information card for entry 4518647

Structure parameters

• Formula: C4 H Ag N6 O8
• Calculated formula: C4 H Ag N6 O8
• Title of publication: Oxygen-Enriched Metal‒Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate
• Authors of publication: Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2021
• a: 5.7421 ± 0.0005 Å
• b: 6.0539 ± 0.0005 Å
• c: 15.413 ± 0.0011 Å
• α: 98.325 ± 0.002°
• β: 92.112 ± 0.002°
• γ: 116.292 ± 0.002°
• Cell volume: 472.21 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0469
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No