Information card for entry 4130968

Structure parameters

• Formula: C64 H48 B Cl2 F24 Ir N2 O2
• Calculated formula: C64 H48 B Cl2 F24 Ir N2 O2
• Title of publication: Why is the Ir(III)-Mediated Amido Transfer Much Faster Than the Rh(III)-Mediated Reaction? A Combined Experimental and Computational Study.
• Authors of publication: Park, Yoonsu; Heo, Joon; Baik, Mu-Hyun; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 42
• Pages of publication: 14020 - 14029
• a: 12.6934 ± 0.0006 Å
• b: 16.405 ± 0.0008 Å
• c: 17.556 ± 0.0008 Å
• α: 62.79 ± 0.002°
• β: 82.644 ± 0.002°
• γ: 89.71 ± 0.002°
• Cell volume: 3218.5 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No