Information card for entry 4060026

Structure parameters

• Formula: C23.5 H16 Br2 Cl Co F8 N3
• Calculated formula: C23.5 H16 Br2 Cl Co F8 N3
• SMILES: [Co]12(Br)(Br)[n]3c(cccc3C(=[N]2c2c(cccc2F)C(F)(F)F)C)C(=[N]1c1c(cccc1F)C(F)(F)F)C.C(Cl)Cl
• Title of publication: Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems
• Authors of publication: Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 280 - 286
• a: 15.3156 ± 0.0011 Å
• b: 11.2916 ± 0.0016 Å
• c: 15.7652 ± 0.0014 Å
• α: 90°
• β: 97.315 ± 0.007°
• γ: 90°
• Cell volume: 2704.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No