Information card for entry 7227917

Structure parameters

• Formula: C19 H11 Cu N O4
• Calculated formula: C19 H7 Cu N O4
• Title of publication: Synthesis, structure and gas adsorption properties of a stable microporous Cu-based metal‒organic framework assembled from a T-shaped pyridyl dicarboxylate ligand
• Authors of publication: Wang, Di; Sun, Libo; Liu, Yuchuan; Du, Jianfeng; Wang, Shun; Song, Xiaowei; Liang, Zhiqiang
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 29
• Pages of publication: 17697
• a: 18.9711 ± 0.0009 Å
• b: 18.9711 ± 0.0009 Å
• c: 44.954 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14011.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.2127
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No