Information card for entry 4069294

Structure parameters

• Formula: C61 H53 Cl6 F6 Ir O11 P4 Ru S2
• Calculated formula: C61 H53 Cl6 F6 Ir O11 P4 Ru S2
• SMILES: [Ir]1([P](c2ccccc1)(c1ccccc2)C[P](c2ccccc2)(c2ccccc2)[Ru]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.ClCCl.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: 11.373 ± 0.0008 Å
• b: 35.712 ± 0.002 Å
• c: 16.7762 ± 0.0011 Å
• α: 90°
• β: 95.6443 ± 0.0012°
• γ: 90°
• Cell volume: 6780.7 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No