Information card for entry 4072780

Structure parameters

• Formula: C27 H29 Cl N O3 P Pd
• Calculated formula: C27 H29 Cl N O3 P Pd
• SMILES: [Pd]1(Cl)([P](c2c([C@@H]3[C@@H](C4=[N]1CCO4)OC(O3)(C)C)cccc2)(c1ccccc1)c1ccccc1)C
• 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: 9.6232 ± 0.0004 Å
• b: 11.1381 ± 0.0005 Å
• c: 24.2794 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2602.37 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No