Information card for entry 4134920

Structure parameters

• Chemical name: b
• Formula: C54 H32 Co4.5 N5 O17.5
• Calculated formula: C54 H32 Co4.5 N5 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: 21.8132 ± 0.0001 Å
• b: 21.8132 ± 0.0001 Å
• c: 39.0403 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18576 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0878
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.2146
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No