Information card for entry 7042886

Structure parameters

• Formula: C35 H43 Cl7 Cr N3
• Calculated formula: C35 H43 Cl7 Cr N3
• SMILES: [Cr]12(Cl)(Cl)(Cl)[N](=C3CCCCc4cc5c([n]1c34)C(=[N]2c1c(C)cc(cc1C)C)CCCC5)c1c(cc(cc1C)C)C.C(Cl)Cl.C(Cl)Cl
• 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: 16.544 ± 0.003 Å
• b: 12.665 ± 0.003 Å
• c: 18.291 ± 0.004 Å
• α: 90°
• β: 95.51 ± 0.03°
• γ: 90°
• Cell volume: 3814.8 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0355
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No