Information card for entry 4134926

Structure parameters

• Formula: C55 H34 N4 Ni4.5 O17.5
• Calculated formula: C55 H33 N4 Ni4.5 O17.5
• Title of publication: Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.
• Authors of publication: Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 21.6973 ± 0.0005 Å
• b: 21.6973 ± 0.0005 Å
• c: 39.0746 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18395.3 ± 1.1 ų
• Cell temperature: 292.17 ± 0.1 K
• Ambient diffraction temperature: 292.17 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.1853
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2244
• Weighted residual factors for all reflections included in the refinement: 0.2854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No