Information card for entry 7718484

Structure parameters

• Formula: C57 H54 Cl2 F Fe N3
• Calculated formula: C57 H54 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: 12.2129 ± 0.0004 Å
• b: 15.7448 ± 0.0006 Å
• c: 29.057 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5587.4 ± 0.3 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No