Information card for entry 7241788

Structure parameters

• Formula: C56 H57 Cl2 Co N3 O4
• Calculated formula: C56 H57 Cl2 Co N3 O4
• SMILES: [Co]12(Cl)(Cl)[n]3c(C(=[N]1c1c(cc(cc1C(c1ccc(OC)cc1)c1ccc(OC)cc1)C(c1ccc(OC)cc1)c1ccc(OC)cc1)C)C)cccc3C(=[N]2c1c(cccc1CC)CC)C
• Title of publication: Achieving polydispersive HDPE by N,N,N-Co precatalysts appended with N-2,4-bis(di(4-methoxyphenyl)methyl)-6-methylphenyl
• Authors of publication: Yuan, Shi-Fang; Fan, Zhe; Yan, Yi; Ma, Yanping; Han, Mingyang; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 71
• Pages of publication: 43400 - 43411
• a: 12.2177 ± 0.0002 Å
• b: 16.0747 ± 0.0002 Å
• c: 25.66 ± 0.0003 Å
• α: 90°
• β: 98.643 ± 0.001°
• γ: 90°
• Cell volume: 4982.29 ± 0.12 ų
• Cell temperature: 169.98 ± 0.11 K
• Ambient diffraction temperature: 169.98 ± 0.11 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No