Information card for entry 7022513

Structure parameters

• Formula: C40 H41 Cl2 Co N3
• Calculated formula: C40 H41 Cl2 Co N3
• SMILES: [Co]12(Cl)(Cl)[N](=C(c3[n]2c(ccc3)C(=[N]1c1c(C(c2ccccc2)c2ccccc2)cc(cc1C)C)C)C)c1c(CC)cccc1CC
• Title of publication: Synthesis, characterization and catalytic behavior toward ethylene of 2-[1-(4,6-dimethyl-2-benzhydrylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridylmetal (iron or cobalt) chlorides.
• Authors of publication: Wang, Shaoli; Li, Baixiang; Liang, Tongling; Redshaw, Carl; Li, Yuesheng; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9188 - 9197
• a: 15.819 ± 0.003 Å
• b: 13.999 ± 0.003 Å
• c: 16.625 ± 0.003 Å
• α: 90°
• β: 109.76 ± 0.03°
• γ: 90°
• Cell volume: 3464.8 ± 1.3 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: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.2296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No