Information card for entry 4103866

Structure parameters

• Formula: C47 H54 F N2 O3 P Ru
• Calculated formula: C47 H52 F N2 O3 P Ru
• Title of publication: Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes
• Authors of publication: Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 1847 - 1861
• a: 10.745 ± 0.0001 Å
• b: 31.766 ± 0.0003 Å
• c: 12.5 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4266.57 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No