Information card for entry 7131309

Structure parameters

• Formula: C66 H50 F4 N4 O10 Zn2
• Calculated formula: C66 H50 F4 N4 O10 Zn2
• Title of publication: Integrating a fluorinated photoactive chromophore into metal-organic frameworks for selective trifluoroethylation of styrenes.
• Authors of publication: Hou, Leixin; Jing, Xu; Huang, Huilin; Duan, Chunying
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 23
• Pages of publication: 3407 - 3410
• a: 21.6596 ± 0.001 Å
• b: 10.1234 ± 0.0005 Å
• c: 15.4018 ± 0.0007 Å
• α: 90°
• β: 98.644 ± 0.001°
• γ: 90°
• Cell volume: 3338.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No