Information card for entry 7237688

Structure parameters

• Formula: C448 H160 Cu48 N56 O216
• Calculated formula: C447.998 H159.998 Cu48 N56.0016 O216
• Title of publication: Integrating multiple adsorption sites and tortuous diffusion paths into a metal‒organic framework for C3H4/C3H6 separation
• Authors of publication: Wu, Xue-Qian; Xie, Yabo; Liu, Jing-Hao; He, Tao; Zhang, Yong-Zheng; Yu, Jiamei; Kong, Xiang-Jing; Li, Jian-Rong
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 44
• Pages of publication: 25254
• a: 39.7902 ± 0.0006 Å
• b: 39.7902 ± 0.0006 Å
• c: 39.7902 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 62998.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2718
• Weighted residual factors for all reflections included in the refinement: 0.2876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No