Information card for entry 1543853

Structure parameters

• Formula: C31.5 H36 Cl3 Fe N3
• Calculated formula: C31.5 H36 Cl3 Fe N3
• SMILES: [n]12c3c4CCCCC3=[N](c3c(cccc3C)C)[Fe]2([N](c2c(C)cccc2C)=C2c1c(c4)CCCC2)(Cl)Cl.ClCCl
• Title of publication: A practical ethylene polymerization for vinyl-polyethylenes: synthesis, characterization and catalytic behavior of α,α′-bisimino-2,3:5,6-bis(pentamethylene)pyridyliron chlorides
• Authors of publication: Du, Shizhen; Wang, Xinxin; Zhang, Wenjuan; Flisak, Zygmunt; Sun, Yang; Sun, Wen-Hua
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 25
• Pages of publication: 4188
• a: 14.024 ± 0.003 Å
• b: 14.801 ± 0.003 Å
• c: 16.889 ± 0.003 Å
• α: 105.53 ± 0.03°
• β: 108.36 ± 0.03°
• γ: 91.5 ± 0.03°
• Cell volume: 3182.2 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No