Information card for entry 7702277

Structure parameters

• Formula: C42 H55 Cl2 Fe N3
• Calculated formula: C42 H55 Cl2 Fe N3
• Title of publication: Probing the effect of ortho-cycloalkyl ring size on activity and thermostability in cycloheptyl-fused N,N,N-iron ethylene polymerization catalysts.
• Authors of publication: Guo, Jingjing; Zhang, Wenjuan; Oleynik, Ivan I.; Solan, Gregory A.; Oleynik, Irina V.; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 136 - 146
• a: 17.5657 ± 0.0015 Å
• b: 16.2635 ± 0.0016 Å
• c: 17.7642 ± 0.0017 Å
• α: 90°
• β: 118.227 ± 0.012°
• γ: 90°
• Cell volume: 4471.4 ± 0.9 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 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 all reflections: 0.191
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2562
• Weighted residual factors for all reflections included in the refinement: 0.313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No