Information card for entry 7704293

Structure parameters

• Formula: C53 H47 Cl2 F4 Fe N3
• Calculated formula: C53 H47 Cl2 F4 Fe N3
• SMILES: [Fe]12(Cl)(Cl)[n]3c(C(=[N]2c2c(cccc2C)C)C)cccc3C(=[N]1c1c(cc(cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C)C(c1ccc(F)cc1)c1ccc(F)cc1)C
• Title of publication: 4,4'-Difluorobenzhydryl-modified bis(imino)-pyridyliron(ii) chlorides as thermally stable precatalysts for strictly linear polyethylenes with narrow dispersities.
• Authors of publication: Zhang, Qiuyue; Zhang, Randi; Han, Mingyang; Yang, Wenhong; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 7384 - 7396
• a: 10.0392 ± 0.0002 Å
• b: 11.7966 ± 0.0002 Å
• c: 21.7852 ± 0.0003 Å
• α: 105.507 ± 0.001°
• β: 94.707 ± 0.001°
• γ: 105.747 ± 0.002°
• Cell volume: 2359.28 ± 0.08 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No