Information card for entry 7016932

Structure parameters

• Formula: C50 H45 Cl2 Co N3
• Calculated formula: C50 H45 Cl2 Co N3
• SMILES: [Co]12(Cl)(Cl)[n]3c(C(=[N]2c2c(cccc2C)C)C)cccc3C(=[N]1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)C
• Title of publication: 2-[1-(2,6-Dibenzhydryl-4-methylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridylcobalt(ii) dichlorides: Synthesis, characterization and ethylene polymerization behavior.
• Authors of publication: Yu, Jiangang; Huang, Wei; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 10209 - 10214
• a: 9.5984 ± 0.0019 Å
• b: 34.2 ± 0.007 Å
• c: 13.446 ± 0.003 Å
• α: 90°
• β: 106.94 ± 0.03°
• γ: 90°
• Cell volume: 4222.3 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No