Information card for entry 1568290

Structure parameters

• Formula: C33 H55 N2 Sc Si3
• Calculated formula: C33 H55 N2 Sc Si3
• 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: 11.6387 ± 0.0008 Å
• b: 17.0971 ± 0.0012 Å
• c: 19.0816 ± 0.0012 Å
• α: 90°
• β: 93.598 ± 0.002°
• γ: 90°
• Cell volume: 3789.5 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No