Information card for entry 4069119

Structure parameters

• Formula: C25 H30 Cl2 N Ni P
• Calculated formula: C25 H30 Cl2 N Ni P
• SMILES: [Ni]1(Cl)(Cl)[P](CCc2[n]1cccc2)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Nickel and Palladium Complexes of New Pyridine-Phosphine Ligands and Their Use in Ethene Oligomerization
• 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: 11
• Pages of publication: 3272
• a: 16.49 ± 0.002 Å
• b: 10.2308 ± 0.0012 Å
• c: 14.87 ± 0.002 Å
• α: 90°
• β: 101.206 ± 0.012°
• γ: 90°
• Cell volume: 2460.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.153
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No