Information card for entry 4087295

Structure parameters

• Formula: C32 H38 F18 I2 Ir2
• Calculated formula: C32 H38 F18 I2 Ir2
• 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: 12.1205 ± 0.0013 Å
• b: 14.3933 ± 0.0015 Å
• c: 11.6847 ± 0.0012 Å
• α: 90°
• β: 105.707 ± 0.002°
• γ: 90°
• Cell volume: 1962.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.425
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No