Information card for entry 7718483

Structure parameters

• Formula: C55 H50 Cl2 F Fe N3
• Calculated formula: C55 H50 Cl2 F Fe N3
• Title of publication: A π-π interaction strategy for targeting highly thermostable bis(arylimino)pyridyliron precatalysts in ethylene polymerization.
• Authors of publication: Zada, Muhammad; Zhang, Qiuyue; Mahmood, Qaiser; Ma, Yanping; Sun, Yang; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 7676 - 7689
• a: 16.5999 ± 0.0003 Å
• b: 16.4788 ± 0.0002 Å
• c: 18.4498 ± 0.0003 Å
• α: 90°
• β: 113.001 ± 0.002°
• γ: 90°
• Cell volume: 4645.64 ± 0.14 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No