Information card for entry 4104610

Structure parameters

• Formula: C22 H34 Cl2 Pd2
• Calculated formula: C22 H34 Cl2 Pd2
• SMILES: [CH2]1=[C]2(C[C@H]3[C@@H]4CC[C@H]([C@H]3[Pd]312[Cl][Pd]12([CH2]=[C]1(C[C@@H]1[C@H]5CC[C@@H]([C@H]21)C5)C)[Cl]3)C4)C
• 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: 6.5617 ± 0.0004 Å
• b: 7.4785 ± 0.0006 Å
• c: 11.1417 ± 0.0007 Å
• α: 80.146 ± 0.001°
• β: 75.201 ± 0.003°
• γ: 89.762 ± 0.003°
• Cell volume: 520.36 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No