Information card for entry 4087293

Structure parameters

• Formula: C35 H34 F10 Ir O4 P S
• Calculated formula: C35 H34 F10 Ir O4 P S
• SMILES: [Ir]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(CCC(F)(C(F)(F)F)C(F)(F)F)C#[O].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Perfluoroalkylation of Coordinated Ethene in Rh(I) and Ir(I) Complexes. Catalytic Addition of Iodoperfluoroalkanes to Ethene
• Authors of publication: Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1245
• a: 8.4615 ± 0.0006 Å
• b: 11.5472 ± 0.0008 Å
• c: 18.7929 ± 0.0012 Å
• α: 91.751 ± 0.002°
• β: 95.671 ± 0.002°
• γ: 100.741 ± 0.002°
• Cell volume: 1792.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0316
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No