Information card for entry 4104614

Structure parameters

• Formula: C22 H35 F6 Pd Sb
• Calculated formula: C22 H35 F6 Pd Sb
• SMILES: [CH]1(=[C]2(C)C[C@@H]3[C@@H]([C@H]4CC[C@@H]3C4)[Pd]312[CH]1=[CH]3[C@@H]2C[C@H]1CC2)C(C)(C)C.[F-][Sb](F)(F)(F)(F)F.[CH]1(=[C]2(C)C[C@H]3[C@H]([C@@H]4CC[C@H]3C4)[Pd]312[CH]1=[CH]3[C@H]2C[C@@H]1CC2)C(C)(C)C.[F-][Sb](F)(F)(F)(F)F
• Title of publication: γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights
• Authors of publication: Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9055 - 9069
• a: 9.2362 ± 0.0004 Å
• b: 12.7024 ± 0.0006 Å
• c: 20.4499 ± 0.0009 Å
• α: 90°
• β: 98.137 ± 0.003°
• γ: 90°
• Cell volume: 2375.07 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No