Information card for entry 4078743

Structure parameters

• Formula: C27 H29 Cl2 Fe N3
• Calculated formula: C27 H29 Cl2 Fe N3
• SMILES: [Fe]12(Cl)(Cl)[n]3c(C(=[N]2c2c(cccc2C)C)C)ccc2c3C(=[N]1c1c(C)cccc1C)CCC2
• Title of publication: 2-(1-(Arylimino)ethyl)-8-arylimino-5,6,7-trihydroquinoline Iron(II) Chloride Complexes: Synthesis, Characterization, and Ethylene Polymerization Behavior
• Authors of publication: Zhang, Wenjuan; Chai, Wenbin; Sun, Wen-Hua; Hu, Xinquan; Redshaw, Carl; Hao, Xiang
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5039
• a: 13.258 ± 0.003 Å
• b: 15.273 ± 0.003 Å
• c: 14.915 ± 0.003 Å
• α: 90°
• β: 106.07 ± 0.03°
• γ: 90°
• Cell volume: 2902.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No