Information card for entry 7713003

Structure parameters

• Formula: C24 H38 F3 Ir O4 P2
• Calculated formula: C24 H38 F3 Ir O4 P2
• Title of publication: Oxidation-induced C-H bond activation in iridium pincer complexes
• Authors of publication: Polukeev, Alexey V.; Tasic, Magdalena
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.4105 ± 0.0004 Å
• b: 10.8472 ± 0.0005 Å
• c: 17.0954 ± 0.0007 Å
• α: 92.654 ± 0.003°
• β: 103.093 ± 0.004°
• γ: 111.264 ± 0.004°
• Cell volume: 1401.41 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for significantly intense reflections: 1.34
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No