Information card for entry 4514179

Structure parameters

• Formula: C40 H27 Cu2 N2.5 O8
• Calculated formula: C40 H27 Cu2 N2.5 O8
• 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: 18.8487 ± 0.0002 Å
• b: 18.8487 ± 0.0002 Å
• c: 13.8659 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4926.19 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0901
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2487
• Weighted residual factors for all reflections included in the refinement: 0.2594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No