Information card for entry 4084475

Structure parameters

• Formula: C35 H49 Br1.69 Cl0.31 Li N Ni O4 P
• Calculated formula: C35 H49 Br1.695 Cl0.305 Li N Ni O4 P
• 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: 9.793 ± 0.001 Å
• b: 17.973 ± 0.001 Å
• c: 22.786 ± 0.001 Å
• α: 90°
• β: 114.646 ± 0.003°
• γ: 90°
• Cell volume: 3645.2 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 9
• 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: 0.0757
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No