Information card for entry 4068099

Structure parameters

• Formula: C23 H40 Cl2 N O P Pd
• Calculated formula: C23 H40 Cl2 N O P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](OC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)(C(C)C)C(C)C
• Title of publication: Nickel and Palladium Complexes with New Phosphinito-Imine Ligands and Their Application as Ethylene Oligomerization Catalysts
• Authors of publication: Ortiz de la Tabla, Laura; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1006
• a: 17.5777 ± 0.0005 Å
• b: 10.4053 ± 0.0003 Å
• c: 14.3919 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2632.3 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0154
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No