Information card for entry 7250906

Structure parameters

• Formula: C63 H64 Cl6 Fe N3
• Calculated formula: C62 H62 Cl4 Fe N3
• Title of publication: Modulation of 2-imino-6,7-dihydroquinlin-8(5H)-imine-iron ethylene polymerization catalysts through (cyclo)alkyl, benzhydryl and halide substitution
• Authors of publication: Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Wang, Yizhou; Gao, Jiahao; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 35055 - 35067
• a: 9.3002 ± 0.0004 Å
• b: 13.7002 ± 0.0006 Å
• c: 22.497 ± 0.0007 Å
• α: 96.212 ± 0.003°
• β: 90.55 ± 0.003°
• γ: 100.482 ± 0.004°
• Cell volume: 2800.8 ± 0.2 ų
• Cell temperature: 169.99 ± 0.14 K
• Ambient diffraction temperature: 169.99 ± 0.14 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: 0.1222
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2673
• Weighted residual factors for all reflections included in the refinement: 0.2973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No