Information card for entry 4068097

Structure parameters

• Formula: C22 H38 Br2 N Ni O P
• Calculated formula: C22 H38 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
• 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: 11.2189 ± 0.0009 Å
• b: 14.3721 ± 0.0012 Å
• c: 15.8988 ± 0.0011 Å
• α: 90°
• β: 95.171 ± 0.002°
• γ: 90°
• Cell volume: 2553.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No