Information card for entry 7132010

Structure parameters

• Formula: C81 H75 N11 O29 Zn4
• Calculated formula: C69 H33 N5 O17 Zn4
• Title of publication: Mixed-ligand metal−organic frameworks as effective photocatalyst for selective oxidation reaction
• Authors of publication: Li, Hanning; Yang, Yang; Xu, Jing; He, Cheng; Duan, Chunying
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 12.8551 ± 0.0017 Å
• b: 15.617 ± 0.002 Å
• c: 16.942 ± 0.002 Å
• α: 92.822 ± 0.003°
• β: 103.512 ± 0.004°
• γ: 109.149 ± 0.003°
• Cell volume: 3094.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No