Information card for entry 4072781

Structure parameters

• Formula: C23 H23 Cl3 N O P Pd
• Calculated formula: C23 H23 Cl3 N O P Pd
• SMILES: [Pd]1(Cl)([P](c2c(C3=[N]1CCO3)cccc2)(c1ccccc1)c1ccccc1)C.C(Cl)Cl
• Title of publication: Ethylene Oligomerization Catalyzed by a Unique Phosphine−Oxazoline Palladium(II) Complex. Propagation and Chain Transfer Mechanisms
• Authors of publication: Doherty, Mark D.; Trudeau, Stéphane; White, Peter S.; Morken, James P.; Brookhart, Maurice
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1261
• a: 13.245 ± 0.018 Å
• b: 10.76 ± 0.011 Å
• c: 17.492 ± 0.012 Å
• α: 90°
• β: 102.08 ± 0.08°
• γ: 90°
• Cell volume: 2438 ± 5 ų
• Cell temperature: 271 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 7
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No