Information card for entry 4069297

Structure parameters

• Formula: C58 H51 Cl4 F6 Ir O9 P4 Ru S2
• Calculated formula: C58 H51 Cl4 F6 Ir O9 P4 Ru S2
• SMILES: [Ir]123([Ru]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=C3C)(C#[O])C#[O])OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.ClCCl.ClCCl
• Title of publication: Unsymmetrically Bridged Methyl Groups as Intermediates in the Transformation of Bridging Methylene to Bridging Acetyl Groups: Ligand Migrations and Migratory Insertions in Mixed Iridium/Ruthenium Complexes
• Authors of publication: Samant, Rahul G.; Trepanier, Steven J.; Wigginton, James R.; Xu, Li; Bierenstiel, Matthias; McDonald, Robert; Ferguson, Michael J.; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3407
• a: 14.6094 ± 0.0012 Å
• b: 17.0071 ± 0.0014 Å
• c: 24.688 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6134.1 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No