Information card for entry 4518646

Structure parameters

• Formula: C4 H2 N5 O6 Rb
• Calculated formula: C4 H2 N5 O6 Rb
• 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: 8.1074 ± 0.0004 Å
• b: 5.0807 ± 0.0002 Å
• c: 10.7183 ± 0.0005 Å
• α: 90°
• β: 98.981 ± 0.002°
• γ: 90°
• Cell volume: 436.09 ± 0.03 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No