Information card for entry 7133125

Structure parameters

• Formula: C165 H129 Ce4 N39 O27
• Calculated formula: C165 H129 Ce4 N39 O27
• Title of publication: Isolation of copper photocatalyst on metal–organic cage for the sulfonylation of aryl halides by visible-light mediated C(sp2)–S cross-coupling
• Authors of publication: Zhao, Lehua; Zhang, Yu; Wang, Huali; Wang, Jing; He, Cheng; Zhao, Liang; Duan, Chunying
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 22.747 ± 0.002 Å
• b: 25.744 ± 0.003 Å
• c: 26.168 ± 0.002 Å
• α: 82.095 ± 0.004°
• β: 83.235 ± 0.003°
• γ: 63.886 ± 0.004°
• Cell volume: 13601 ± 2 ų
• Cell temperature: 219 K
• Ambient diffraction temperature: 219 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: 0.0926
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No