Information card for entry 1551112

Structure parameters

• Formula: C20 H16 Cl3 F6 N O S Ti
• Calculated formula: C20 H16 Cl3 F6 N O S Ti
• SMILES: C1(=CC(=[N]2CC[S](C)[Ti]2(O1)(Cl)(Cl)Cl)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
• Title of publication: An efficient and mild route to highly fluorinated polyolefins via copolymerization of ethylene and 5-perfluoroalkylnorbornenes
• Authors of publication: Ji, Li; Liu, Jia-Shuai; Wang, Xiao-Yan; Li, Jun-Fang; Chen, Zhou; Liao, Saihu; Sun, Xiu-Li; Tang, Yong
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 26
• Pages of publication: 3604
• a: 7.0364 ± 0.0016 Å
• b: 21.638 ± 0.005 Å
• c: 15.514 ± 0.003 Å
• α: 90°
• β: 96.356 ± 0.004°
• γ: 90°
• Cell volume: 2347.5 ± 0.9 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• 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: 0.0859
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No