Information card for entry 4071013

Structure parameters

• Formula: C24 H25 Cl4 Fe N3
• Calculated formula: C24 H25 Cl4 Fe N3
• 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: 10.414 ± 0.0005 Å
• b: 15.2465 ± 0.0008 Å
• c: 15.8488 ± 0.0008 Å
• α: 90°
• β: 92.365 ± 0.001°
• γ: 90°
• Cell volume: 2514.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0602
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No