Information card for entry 4102397

Structure parameters

• Formula: C31 H42 N O P Pd
• Calculated formula: C31 H42 N O P Pd
• SMILES: c12ccccc1C[P](C(C)(C)C)(C(C)(C)C)[Pd]2(N(c1ccccc1)c1ccccc1)[O]1CCCC1
• Title of publication: Intermolecular Insertion of Ethylene and Octene into a Palladium-Amide Bond. Spectroscopic Evidence for an Ethylene Amido Intermediate
• Authors of publication: Patrick S. Hanley; Dean Marković; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6302 - 6303
• a: 16.0764 ± 0.0008 Å
• b: 20.7006 ± 0.001 Å
• c: 8.5956 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2860.5 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No