Information card for entry 4066054

Structure parameters

• Formula: C30 H25 Cl F4 Ir P
• Calculated formula: C30 H25 Cl F4 Ir P
• SMILES: [Ir]123(Cl)([P](c4cccc5c(F)c(F)c(F)c(F)c45)(c4ccccc4)c4ccccc4)[CH]4=[CH]2CC[CH]3=[CH]1CC4
• Title of publication: Remote C−F−Metal Interactions in Late-Transition-Metal Complexes
• Authors of publication: Stanek, Kyrill; Czarniecki, Barbara; Aardoom, Raphael; Rüegger, Heinz; Togni, Antonio
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2540
• a: 9.856 ± 0.003 Å
• b: 12.286 ± 0.003 Å
• c: 21.289 ± 0.006 Å
• α: 90°
• β: 100.966 ± 0.006°
• γ: 90°
• Cell volume: 2530.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No