Information card for entry 4069120

Structure parameters

• Formula: C22 H25 Cl N P Pd
• Calculated formula: C22 H25 Cl N P Pd
• SMILES: [Pd]1(Cl)([P](CCc2[n]1cccc2)(c1c(cccc1)C)c1c(cccc1)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: 8.6654 ± 0.001 Å
• b: 11.1373 ± 0.001 Å
• c: 12.839 ± 0.002 Å
• α: 74.356 ± 0.015°
• β: 73.078 ± 0.015°
• γ: 68.916 ± 0.018°
• Cell volume: 1087 ± 0.3 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: 0.0256
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No