Information card for entry 4128214

Structure parameters

• Formula: C66 H54 B Cl F24 Ir P
• Calculated formula: C66 H54 B Cl F24 Ir P
• Title of publication: Base-Promoted, Remote C-H Activation at a Cationic (η⁵-C₅Me₅)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C₅Me₅.
• Authors of publication: Moreno, Juan J.; Espada, María F; Campos, Jesús; López-Serrano, Joaquín; Macgregor, Stuart A.; Carmona, Ernesto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2205 - 2210
• a: 12.8963 ± 0.0005 Å
• b: 19.5146 ± 0.0008 Å
• c: 13.2343 ± 0.0005 Å
• α: 90°
• β: 96.898 ± 0.001°
• γ: 90°
• Cell volume: 3306.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No