Information card for entry 7220052

Structure parameters

• Formula: C32 H39 Cl2 Co N3 O0
• Calculated formula: C32 H39 Cl2 Co N3
• SMILES: c1(c(cccc1CC)CC)[N]1=C(C)c2ccc3CC(/C(=N\c4c(cccc4CC)CC)c3[n]2[Co]1(Cl)Cl)(C)C
• Title of publication: Constrained formation of 2-(1-(arylimino)ethyl)-7-arylimino-6,6-dimethylcyclopentapyridines and their cobalt(II) chloride com-plexes: synthesis, characterization and ethylene polymerization
• Authors of publication: Ba, Junjun; Du, Shizhen; Yue, Erlin; Hu, Xinquan; Flisak, Zygmunt; Sun, Wen Hua
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.556 ± 0.004 Å
• b: 16.925 ± 0.004 Å
• c: 20.273 ± 0.006 Å
• α: 99.47 ± 0.003°
• β: 110.249 ± 0.002°
• γ: 98.841 ± 0.003°
• Cell volume: 4810 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No