Information card for entry 4081179

Structure parameters

• Formula: C39 H42 Cl F6 Ir O P2
• Calculated formula: C39 H42 Cl F6 Ir O P2
• Title of publication: Nucleophilic Attack in Methoxycarbenes: Heterolytic Cleavage of the Carbon (sp3)‒Oxygen Bond versus Aminolysis
• Authors of publication: Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.; Hermida-Ramón, J. M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4402
• a: 40.922 ± 0.003 Å
• b: 12.8637 ± 0.001 Å
• c: 14.6334 ± 0.0012 Å
• α: 90°
• β: 101.358 ± 0.001°
• γ: 90°
• Cell volume: 7552.3 ± 1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No