Information card for entry 7000341

Structure parameters

• Formula: C41 H34 O3 P2 Ru
• Calculated formula: C41 H34 O3 P2 Ru
• SMILES: [RuH2]1([P](c2c3Oc4c(C(c3ccc2)(C)C)cccc4[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Ruthenium xantphos complexes in hydrogen transfer processes: reactivity and mechanistic studies
• Authors of publication: Ledger, Araminta E. W.; Slatford, Paul A.; Lowe, John P.; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 4
• Pages of publication: 716
• a: 10.062 ± 0.0002 Å
• b: 10.671 ± 0.0002 Å
• c: 18.151 ± 0.0004 Å
• α: 73.413 ± 0.001°
• β: 73.881 ± 0.001°
• γ: 73.441 ± 0.001°
• Cell volume: 1749 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No