Information card for entry 4076843

Structure parameters

• Formula: C59 H59 B Cl4 F4 O3 P5 Rh Ru
• Calculated formula: C59 H59 B Cl4 F4 O3 P5 Rh Ru
• SMILES: [Rh]123([Ru]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C3)([P](C)(C)C)C#[O].[B](F)(F)(F)[F-].ClCCl.ClCCl
• Title of publication: Methylene-Bridged Complexes of Rhodium/Ruthenium as Models for Bimetallic Fischer−Tropsch Catalysts: Comparisons with the Rh/Os and Ir/Ru Analogues
• Authors of publication: Rowsell, Bryan D.; Trepanier, Steven J.; Lam, Robert; McDonald, Robert; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3228
• a: 20.3808 ± 0.0013 Å
• b: 12.7481 ± 0.0009 Å
• c: 23.2397 ± 0.0014 Å
• α: 90°
• β: 91.4953 ± 0.0016°
• γ: 90°
• Cell volume: 6036 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No