Information card for entry 4067002

Structure parameters

• Formula: C38 H55 B Cl2 F4 N O2 P Ru
• Calculated formula: C38 H55 B Cl2 F4 N O2 P Ru
• Title of publication: Chelate-Assisted Oxidative Coupling Reaction of Arylamides and Unactivated Alkenes: Mechanistic Evidence for Vinyl C-H Bond Activation Promoted by an Electrophilic Ruthenium-Hydride Catalyst.
• Authors of publication: Kwon, Ki-Hyeok; Lee, Do W.; Yi, Chae S.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5748 - 5750
• a: 10.23664 ± 0.00013 Å
• b: 12.0713 ± 0.0002 Å
• c: 16.7295 ± 0.0002 Å
• α: 100.16 ± 0.0012°
• β: 102.321 ± 0.0011°
• γ: 103.837 ± 0.0012°
• Cell volume: 1903.84 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No