Information card for entry 4133765

Structure parameters

• Formula: C13 H8 Cu N9 O4 Zn2
• Calculated formula: C13 H8 Cu N9 O4 Zn2
• Title of publication: Cage-Interconnected Metal-Organic Framework with Tailored Apertures for Efficient C₂H₆/C₂H₄ Separation under Humid Conditions.
• Authors of publication: Zeng, Heng; Xie, Xiao-Jing; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Ting; Zhao, Yifang; Lu, Weigang; Li, Dan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 43.5489 ± 0.0003 Å
• b: 43.5489 ± 0.0003 Å
• c: 43.5489 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 82590.8 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 226
• Hermann-Mauguin space group symbol: F m -3 c
• Hall space group symbol: -F 4a 2 3
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No