Information card for entry 7704717

Structure parameters

• Formula: C84 H75 Cl4 Co F2 N3 O
• Calculated formula: C84 H75 Cl4 Co F2 N3 O
• SMILES: [Co]12(Cl)(Cl)[N](=C3c4[n]1c1C(=[N]2c2c(cc(cc2F)C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)CCCCc1cc4CCCC3)c1c(C(c2ccccc2)c2ccccc2)cc(cc1F)C(c1ccccc1)c1ccccc1.ClCCl.O(CC)CC
• Title of publication: Bis-cycloheptyl-fused bis(imino)pyridine-cobalt catalysts for PE wax formation: positive effects of fluoride substitution on catalytic performance and thermal stability.
• Authors of publication: Zhang, Qiuyue; Wu, Ningning; Xiang, Junfeng; Solan, Gregory A.; Suo, Hongyi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 27
• Pages of publication: 9425 - 9437
• a: 10.4294 ± 0.0004 Å
• b: 18.2182 ± 0.0007 Å
• c: 20.3353 ± 0.0007 Å
• α: 65.813 ± 0.004°
• β: 76.76 ± 0.004°
• γ: 81.879 ± 0.003°
• Cell volume: 3426 ± 0.2 ų
• Cell temperature: 169.99 ± 0.12 K
• Ambient diffraction temperature: 169.99 ± 0.12 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.1134
• Weighted residual factors for significantly intense reflections: 0.3074
• Weighted residual factors for all reflections included in the refinement: 0.3289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No