Information card for entry 4069295

Structure parameters

• Formula: C59 H53 B2 Cl6 F8 Ir O5 P4 Ru
• Calculated formula: C59 H53 B2 Cl6 F8 Ir O5 P4 Ru
• 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])(C#[O])C#[O].[B](F)(F)(F)[F-].[B](F)(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: 37.384 ± 0.003 Å
• b: 14.5048 ± 0.0011 Å
• c: 23.9474 ± 0.0019 Å
• α: 90°
• β: 99.127 ± 0.0018°
• γ: 90°
• Cell volume: 12821 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No