Information card for entry 1574627

Structure parameters

• Formula: C43 H51 Cl2 Co N3
• Calculated formula: C43 H51 Cl2 Co N3
• SMILES: c12C3CCCc1c(c1ccccc1)c1c4[n]2[Co]([N]=3c2c(cccc2C(C)C)C(C)C)(Cl)([N](=C4CCC1)c1c(cccc1C(C)C)C(C)C)Cl
• Title of publication: Ultra-low-molecular-weight PE wax using a cyclohexyl-fused bis(imino)pyridine-cobalt catalyst functionalized with a remote para-phenyl group
• Authors of publication: Wang, Yizhou; Wang, Zheng; Zhang, Qiuyue; Wang, Quanchao; Solan, Gregory A.; Duan, Xuelei; Ma, Yanping; Gao, Jiahao; Zhou, Zhe; Sun, Wen-Hua
• Journal of publication: Polymer Chemistry
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 2718 - 2731
• a: 22.7671 ± 0.0008 Å
• b: 22.7671 ± 0.0008 Å
• c: 14.8686 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7707 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No