Information card for entry 7037211

Structure parameters

• Formula: C28 H31 Cl2 Co N3
• Calculated formula: C28 H31 Cl2 Co N3
• SMILES: [Co]12(Cl)(Cl)[N](c3c(cccc3C)C)=C3c4[n]2c(C(=[N]1c1c(C)cccc1C)C)ccc4CCCC3
• 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: 10.148 ± 0.002 Å
• b: 13.103 ± 0.003 Å
• c: 22.379 ± 0.005 Å
• α: 94.63 ± 0.03°
• β: 92.37 ± 0.03°
• γ: 102.84 ± 0.03°
• Cell volume: 2886.5 ± 1.2 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 all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2235
• Weighted residual factors for all reflections included in the refinement: 0.2341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No