Information card for entry 1572688

Structure parameters

• Formula: C28 H40 F3 N2 O S Si2 Y
• Calculated formula: C28 H40 F3 N2 O S Si2 Y
• Title of publication: Polymerization of Isoprene and Butadiene with Unparallel Stereoselectivity Catalysed by Rare-earth Metal Cationic Species Bearing a Novel Tridentate Ligand
• Authors of publication: Wang, Xiuling; Wang, Yang; Qin, Zhonglei; Shen, Liying; Shi, Xiaochao
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• a: 15.929 ± 0.002 Å
• b: 13.377 ± 0.002 Å
• c: 31.338 ± 0.005 Å
• α: 90°
• β: 98.093 ± 0.006°
• γ: 90°
• Cell volume: 6611.1 ± 1.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No