Information card for entry 7037212

Structure parameters

• Formula: C36 H47 Cl2 Co N3
• Calculated formula: C36 H47 Cl2 Co N3
• SMILES: [Co]12(Cl)(Cl)[N](=C(c3[n]1c1c(cc3)CCCCC1=[N]2c1c(C(C)C)cccc1C(C)C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Controlling the molecular weights of polyethylene waxes using the highly active precatalysts of 2-(1-aryliminoethyl)-9-arylimino-5,6,7,8-tetrahydrocycloheptapyridylcobalt chlorides: synthesis, characterization, and catalytic behavior.
• Authors of publication: Huang, Fang; Zhang, Wenjuan; Yue, Erlin; Liang, Tongling; Hu, Xinquan; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 657 - 666
• a: 9.1872 ± 0.0018 Å
• b: 18.382 ± 0.004 Å
• c: 24.108 ± 0.005 Å
• α: 110.6 ± 0.03°
• β: 96.73 ± 0.03°
• γ: 91.19 ± 0.03°
• Cell volume: 3776.3 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2726
• Weighted residual factors for all reflections included in the refinement: 0.2935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No