Information card for entry 4068495

Structure parameters

• Formula: C23 H18 Cl2 N Ni P
• Calculated formula: C23 H18 Cl2 N Ni P
• SMILES: [Ni]1(Cl)(Cl)[P](c2c(c3[n]1cccc3)cccc2)(c1ccccc1)c1ccccc1
• 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: 17.1048 ± 0.001 Å
• b: 13.3897 ± 0.001 Å
• c: 18.552 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4248.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No