Information card for entry 4335123

Structure parameters

• Formula: C61 H49 B F24 Ir O P
• Calculated formula: C61 H49 B F24 Ir O P
• Title of publication: Cyclometalated Iridium Complexes of Bis(Aryl) Phosphine Ligands: Catalytic C-H/C-D Exchanges and C-C Coupling Reactions
• Authors of publication: Jesús Campos; María F. Espada; Joaquín López-Serrano; Ernesto Carmona
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6694 - 6704
• a: 12.228 ± 0.005 Å
• b: 12.879 ± 0.005 Å
• c: 19.16 ± 0.005 Å
• α: 84.912 ± 0.005°
• β: 81.439 ± 0.005°
• γ: 84.605 ± 0.005°
• Cell volume: 2962 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No