Information card for entry 4068497

Structure parameters

• Formula: C21 H23 Cl N P Pd
• Calculated formula: C21 H23 Cl N P Pd
• SMILES: [Pd]1(Cl)([P](CCCc2[n]1cccc2)(c1ccccc1)c1ccccc1)C
• Title of publication: Nickel and Palladium Complexes of Pyridine−Phosphine Ligands as Ethene Oligomerization Catalysts
• Authors of publication: Flapper, Jitte; Kooijman, Huub; Lutz, Martin; Spek, Anthony L.; van Leeuwen, Piet W. N. M.; Elsevier, Cornelis J.; Kamer, Paul C. J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1180
• a: 9.6302 ± 0.0002 Å
• b: 10.2603 ± 0.0002 Å
• c: 11.4891 ± 0.0002 Å
• α: 110.876 ± 0.001°
• β: 95.4957 ± 0.001°
• γ: 95.8718 ± 0.0008°
• Cell volume: 1044.4 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No