Information card for entry 7220051

Structure parameters

• Formula: C28 H31 Cl2 Co N3
• Calculated formula: C28 H31 Cl2 Co N3
• SMILES: CC1c2ccc3c(/C(=N/c4c(cccc4C)C)C(C3)(C)C)[n]2[Co](Cl)(Cl)[N]=1c1c(cccc1C)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: 11.693 ± 0.002 Å
• b: 14.583 ± 0.003 Å
• c: 17.761 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3028.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No