Information card for entry 4068494

Structure parameters

• Formula: C19 H18 Cl2 N Ni P
• Calculated formula: C19 H18 Cl2 N Ni P
• SMILES: [Ni]1(Cl)(Cl)[P](CCc2[n]1cccc2)(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: 7.4772 ± 0.001 Å
• b: 8.4117 ± 0.001 Å
• c: 15.416 ± 0.002 Å
• α: 97.787 ± 0.012°
• β: 101.974 ± 0.014°
• γ: 101.194 ± 0.01°
• Cell volume: 914.7 ± 0.2 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: 0.0277
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No