Information card for entry 4104611

Structure parameters

• Formula: C21 H27 F6 N2 Pd Sb
• Calculated formula: C21 H27 F6 N2 Pd Sb
• SMILES: [Pd]12([CH2]=[C]1(C)C[C@H]1[C@@H]3CC[C@H]([C@@H]21)C3)([n]1ccccc1)[n]1ccccc1.[Sb](F)(F)(F)(F)(F)[F-].[Pd]12([CH2]=[C]1(C)C[C@@H]1[C@H]3CC[C@@H]([C@H]21)C3)([n]1ccccc1)[n]1ccccc1.[Sb](F)(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: 9.867 ± 0.0002 Å
• b: 18.4716 ± 0.0003 Å
• c: 13.4204 ± 0.0003 Å
• α: 90°
• β: 92.169 ± 0.001°
• γ: 90°
• Cell volume: 2444.24 ± 0.08 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No