Information card for entry 4076441

Structure parameters

• Formula: C23 H47 F3 Ir2 O6 P4 S
• Calculated formula: C23 H47 F3 Ir2 O6 P4 S
• Title of publication: Bis(diethylphosphino)methane As a Bridging Ligand in Complexes of Ir2, Rh2, and IrRh: Geminal C‒H Activation of α-Olefins
• Authors of publication: Slaney, Michael E.; Anderson, D. Jason; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2286
• a: 10.6784 ± 0.0007 Å
• b: 12.5837 ± 0.0009 Å
• c: 14.9169 ± 0.001 Å
• α: 111.404 ± 0.001°
• β: 96.2866 ± 0.0011°
• γ: 107.84 ± 0.0011°
• Cell volume: 1720.2 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No