Information card for entry 4104376

Structure parameters

• Formula: C63 H61 Cl4 N4 O P Ru
• Calculated formula: C63 H61 Cl4 N4 O P Ru
• Title of publication: Ligand-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand in Ruthenium-Based Metathesis Catalysts
• Authors of publication: Brandon R. Galan; Mateusz Pitak; Milan Gembicky; Jerome B. Keister; Steven T. Diver
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6822 - 6832
• a: 15.388 ± 0.002 Å
• b: 15.585 ± 0.002 Å
• c: 16.341 ± 0.003 Å
• α: 92.463 ± 0.004°
• β: 114.839 ± 0.004°
• γ: 114.18 ± 0.004°
• Cell volume: 3133 ± 0.8 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No