Information card for entry 4518741

Structure parameters

• Formula: C216.5 H197.5 N18.5 O83 Zn14
• Calculated formula: C216.5 H157 N18.5 O83 Zn14
• Title of publication: Photocatalytic C-H Activation with Alcohol as a Hydrogen Atom Transfer Agent in a 9-Fluorenone Based Metal-Organic Framework.
• Authors of publication: Wang, Zhonghe; Zeng, Le; He, Cheng; Duan, Chunying
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• a: 29.4226 ± 0.0019 Å
• b: 44.447 ± 0.004 Å
• c: 35.326 ± 0.003 Å
• α: 90°
• β: 108.777 ± 0.002°
• γ: 90°
• Cell volume: 43739 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2818
• Weighted residual factors for all reflections included in the refinement: 0.3249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No