Information card for entry 4514177

Structure parameters

• Formula: C100 H168.96 Cu8 O86.48
• Calculated formula: C100 H60 Cu8 O86.48
• Title of publication: A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.
• Authors of publication: Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 32
• Pages of publication: 27027 - 27035
• a: 18.9911 ± 0.001 Å
• b: 18.9911 ± 0.001 Å
• c: 13.4276 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4842.8 ± 0.6 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.1392
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2557
• Weighted residual factors for all reflections included in the refinement: 0.2974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No