Information card for entry 7042887

Structure parameters

• Formula: C31 H35 Cl3 Cr N3
• Calculated formula: C31 H35 Cl3 Cr N3
• SMILES: [Cr]12(Cl)(Cl)(Cl)[n]3c4C(=[N]2c2c(C)cccc2C)CCCCc4cc2c3C(=[N]1c1c(cccc1C)C)CCCC2
• Title of publication: From Polyethylene Waxes to HDPE using a α,α'-Bis(arylimino)- 2,3:5,6-bis(pentamethylene)pyridyl-Chromium(III) Chloride Pre-catalyst in Ethylene Polymerisation
• Authors of publication: Huang, Chuanbing; Du, Shizhen; Solan, Gregory; Sun, Yang; Sun, Wen Hua
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.671 ± 0.003 Å
• b: 13.38 ± 0.003 Å
• c: 16.481 ± 0.003 Å
• α: 90°
• β: 105.28 ± 0.03°
• γ: 90°
• Cell volume: 2908.1 ± 1.1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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 all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No