Information card for entry 7702278

Structure parameters

• Formula: C44 H59 Cl2 Fe N3
• Calculated formula: C44 H59 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: 14.004 ± 0.002 Å
• b: 16.1859 ± 0.0011 Å
• c: 18.7893 ± 0.0014 Å
• α: 90°
• β: 110.961 ± 0.012°
• γ: 90°
• Cell volume: 3977.1 ± 0.8 ų
• Cell temperature: 169.99 ± 0.12 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2279
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.236
• Weighted residual factors for all reflections included in the refinement: 0.3247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No