Information card for entry 4084942

Structure parameters

• Formula: C54 H47 B F15 N O6 P2 Pd S
• Calculated formula: C54 H47 B F15 N O6 P2 Pd S
• Title of publication: Lewis Acid Modification and Ethylene Oligomerization Behavior of Palladium Catalysts That Contain a Phosphine-Sulfonate-Diethyl Phosphonate Ancillary Ligand
• Authors of publication: Contrella, Nathan D.; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7199
• a: 23.573 ± 0.004 Å
• b: 12.72 ± 0.002 Å
• c: 22.353 ± 0.004 Å
• α: 90°
• β: 112.601 ± 0.002°
• γ: 90°
• Cell volume: 6187.8 ± 1.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• 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: 0.0898
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No