Information card for entry 4068198

Structure parameters

• Formula: C55 H57 B F26 Ir2 O3 P4
• Calculated formula: C55 H57 B F26 Ir2 O3 P4
• Title of publication: Tandem C‒F and C‒H Bond Activation in Fluoroolefins Promoted by a Bis(diethylphosphino)methane-Bridged Diiridium Complex: Role of Water in the Activation Processes
• Authors of publication: Slaney, Michael E.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1384
• a: 12.6522 ± 0.0006 Å
• b: 14.9899 ± 0.0007 Å
• c: 17.6977 ± 0.0008 Å
• α: 97.0697 ± 0.0006°
• β: 97.5218 ± 0.0006°
• γ: 92.0058 ± 0.0006°
• Cell volume: 3297.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No