Information card for entry 1548928

Structure parameters

• Formula: C40 H42 Br2 F22 N2 Ni
• Calculated formula: C40 H42 Br2 F22 N2 Ni
• SMILES: Br[Ni]1(Br)[N](=C(C(=[N]1c1c(cc(cc1C(C)C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)C)C)C)c1c(cc(cc1C(C)C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)C
• Title of publication: Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization
• Authors of publication: Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 1234
• a: 13.1834 ± 0.0005 Å
• b: 34.0491 ± 0.0013 Å
• c: 10.3637 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4652.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No