Information card for entry 4071014

Structure parameters

• Formula: C24 H23 Cl4 F2 Fe N3
• Calculated formula: C24 H23 Cl4 F2 Fe N3
• SMILES: [Fe]12(Cl)(Cl)[N](=C(c3[n]1c(ccc3)C(=[N]2c1c(F)cccc1C)C)C)c1c(F)cccc1C.ClCCl
• Title of publication: High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Cobalt(II) Tridentate Bis(imino)pyridine Complexes with a Double Pattern of Substitution:o-Methyl pluso-Fluorine in the Same Imino Arm†
• Authors of publication: Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Bobik Fones, Barbara; Fish, Brian M.; Schiffhauer, Matthew F.; Spence, Rupert E.; Xie, Tuyu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1147
• a: 15.867 ± 0.005 Å
• b: 15.22 ± 0.005 Å
• c: 21.709 ± 0.007 Å
• α: 90°
• β: 93.565 ± 0.006°
• γ: 90°
• Cell volume: 5232 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No