Information card for entry 4349986

Structure parameters

• Formula: C42 H22 Al3 N0 O16
• Calculated formula: C42 H22 Al3 O16
• Title of publication: A superstable 3p-block metal‒organic framework platform towards prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and strong Lewis acid catalysis for CO2 fixation
• Authors of publication: Zhang, Jian-Wei; Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhang, Xian-Ming; Qu, Peng; Zhai, Quan-Guo
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 813
• a: 27.3814 ± 0.0009 Å
• b: 27.3814 ± 0.0009 Å
• c: 71.344 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 46323 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2277
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No