Information card for entry 4076444

Structure parameters

• Formula: C25 H44 F6 O11 P4 Rh2 S2
• Calculated formula: C25 H44 F6 O11 P4 Rh2 S2
• SMILES: S(=O)(=O)(C(F)(F)F)[O-].C(#[O])[Rh]123(C(=O)[Rh]2(C#[O])(C#[O])([P](C[P]1(CC)CC)(CC)CC)[P](C[P]3(CC)CC)(CC)CC)C#[O].S(=O)(=O)(C(F)(F)F)[O-]
• 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: 9.5764 ± 0.0006 Å
• b: 21.346 ± 0.0014 Å
• c: 10.0396 ± 0.0006 Å
• α: 90°
• β: 108.081 ± 0.001°
• γ: 90°
• Cell volume: 1950.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No