Information card for entry 4069121

Structure parameters

• Formula: C22 H25 Cl N O2 P Pd
• Calculated formula: C22 H25 Cl N O2 P Pd
• SMILES: [Pd]1(Cl)([P](CCc2[n]1cccc2)(c1c(OC)cccc1)c1c(OC)cccc1)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: 8.3871 ± 0.001 Å
• b: 12.376 ± 0.002 Å
• c: 13.626 ± 0.002 Å
• α: 103.68 ± 0.015°
• β: 106.062 ± 0.018°
• γ: 99.75 ± 0.02°
• Cell volume: 1278.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No