Information card for entry 4077071

Structure parameters

• Common name: [PdCl(C6H4Me)(C3H2N2tBu2)2].2(C6D6)
• Formula: C41 H49 Cl D12 N4 Pd
• Calculated formula: C41 H59 Cl N4 Pd
• Title of publication: The First Example of Simple Oxidative Addition of an Aryl Chloride to a Discrete Palladium N-Heterocyclic Carbene Amination Precatalyst
• Authors of publication: Caddick, Stephen; Cloke, F. Geoffrey N.; Hitchcock, Peter B.; Leonard, John; Lewis, Alexandra K. de K.; McKerrecher, Darren; Titcomb, Lisa R.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4318
• a: 12.5279 ± 0.0006 Å
• b: 13.7541 ± 0.0003 Å
• c: 23.2188 ± 0.0011 Å
• α: 90°
• β: 97.785 ± 0.002°
• γ: 90°
• Cell volume: 3964 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No