Information card for entry 4102550

Structure parameters

• Formula: C16 H34 Cl O P Pd
• Calculated formula: C16 H34 Cl O P Pd
• Title of publication: In Situ Generated Bulky Palladium Hydride Complexes as Catalysts for the Efficient Isomerization of Olefins. Selective Transformation of Terminal Alkenes to 2-Alkenes
• Authors of publication: Delphine Gauthier; Anders T. Lindhardt; Esben P. K. Olsen; Jacob Overgaard; Troels Skrydstrup
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7998 - 8009
• a: 7.8947 ± 0.0002 Å
• b: 29.6787 ± 0.0007 Å
• c: 8.5746 ± 0.0002 Å
• α: 90°
• β: 105.441 ± 0.001°
• γ: 90°
• Cell volume: 1936.55 ± 0.08 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No