Information card for entry 1568289

Structure parameters

• Formula: C31 H47 N2 Sc Si2
• Calculated formula: C31 H47 N2 Sc Si2
• Title of publication: Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand
• Authors of publication: Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 828 - 838
• a: 10.3315 ± 0.0008 Å
• b: 17.5787 ± 0.0012 Å
• c: 18.0108 ± 0.0013 Å
• α: 90°
• β: 99.52 ± 0.002°
• γ: 90°
• Cell volume: 3226 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0802
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No