Information card for entry 4104613

Structure parameters

• Formula: C19 H28 Cl3 F6 Pd Sb
• Calculated formula: C19 H28 Cl3 F6 Pd Sb
• SMILES: [CH2]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(Cl)(Cl)Cl.[F-][Sb](F)(F)(F)(F)F.[CH2]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(Cl)(Cl)Cl.[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: 11.5854 ± 0.0005 Å
• b: 17.7525 ± 0.0006 Å
• c: 22.9995 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4730.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No