Information card for entry 4104612

Structure parameters

• Formula: C20 H29 F6 Pd Sb
• Calculated formula: C20 H29 F6 Pd Sb
• SMILES: [CH2]1=[C]2(C)C[C@@H]3[C@H]4CC[C@@H]([C@@H]3[Pd]3567812[c]1([cH]7[c]8([cH]6[c]5([cH]31)C)C)C)C4.F[Sb](F)(F)(F)(F)[F-].[CH2]1=[C]2(C)C[C@H]3[C@@H]4CC[C@H]([C@H]3[Pd]3567812[c]1([cH]7[c]8([cH]6[c]5([cH]31)C)C)C)C4.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: 14.5005 ± 0.0004 Å
• b: 9.7599 ± 0.0003 Å
• c: 15.6128 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2209.58 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No