Information card for entry 7700587

Structure parameters

• Formula: C203 H75 Al4 F60 I12 N27
• Calculated formula: C203 H75 Al4 F60 I12 N27
• Title of publication: Positive shift in corrole redox potentials leveraged by modest β-CF₃-substitution helps achieve efficient photocatalytic C-H bond functionalization by group 13 complexes.
• Authors of publication: Zhan, Xuan; Yadav, Pinky; Diskin-Posner, Yael; Fridman, Natalia; Sundararajan, Mahesh; Ullah, Zakir; Chen, Qiu-Cheng; Shimon, Linda J. W.; Mahammed, Atif; Churchill, David G.; Baik, Mu-Hyun; Gross, Zeev
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 32
• Pages of publication: 12279 - 12286
• a: 16.5663 ± 0.0001 Å
• b: 22.8606 ± 0.0001 Å
• c: 26.4461 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10015.5 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No