Information card for entry 4068096

Structure parameters

• Formula: C23 H40 Br2 N Ni O P
• Calculated formula: C23 H40 Br2 N Ni O P
• SMILES: [Ni]1(Br)(Br)[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: 15.7309 ± 0.0013 Å
• b: 11.6766 ± 0.0007 Å
• c: 14.6596 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2692.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0692
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No