Information card for entry 7000340

Structure parameters

• Formula: C58 H49 O2 P3 Ru
• Calculated formula: C58 H49 O2 P3 Ru
• 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: 11.094 ± 0.0001 Å
• b: 12.962 ± 0.0001 Å
• c: 18.184 ± 0.0002 Å
• α: 92.599 ± 0.001°
• β: 92.909 ± 0.001°
• γ: 113.854 ± 0.001°
• Cell volume: 2382.2 ± 0.04 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: 0.0549
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No