Information card for entry 4084474

Structure parameters

• Formula: C34 H47 Br2 Li N Ni O4 P
• Calculated formula: C34 H47 Br2 Li N Ni O4 P
• SMILES: [Br]1[Ni]2(Br)[O](c3ccccc3P(=[N]2C(C)(C)C)(c2ccccc2)c2ccccc2)[Li]1([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Nickel Complexes Featuring Iminophosphorane‒Phenoxide Ligands for Catalytic Ethylene Dimerization
• Authors of publication: Cheisson, Thibault; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Auffrant, Audrey
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6193
• a: 9.169 ± 0.001 Å
• b: 23.772 ± 0.001 Å
• c: 18.71 ± 0.001 Å
• α: 90°
• β: 118.751 ± 0.003°
• γ: 90°
• Cell volume: 3575.4 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No