Information card for entry 4060029

Structure parameters

• Formula: C24 H17 Br2 Cl2 F8 Fe N3
• Calculated formula: C24 H17 Br2 Cl2 F8 Fe N3
• SMILES: [Fe]12(Br)(Br)[n]3c(cccc3C(=[N]2c2c(cc(F)cc2)C(F)(F)F)C)C(=[N]1c1c(cc(F)cc1)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: 15.962 ± 0.003 Å
• b: 17.976 ± 0.003 Å
• c: 20.154 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5782.7 ± 1.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No