Information card for entry 1550201

Structure parameters

• Formula: C27 H36 N Sc Si2
• Calculated formula: C27 H36 N Sc Si2
• SMILES: [Sc]12345([n]6c(C[c]71[c]12cccc[c]31[c]14cccc[c]571)cccc6)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Sequence-controlled ethylene/styrene copolymerization catalyzed by scandium complexes
• Authors of publication: Liu, Bo; Wang, Lingfang; Wu, Chunji; Cui, Dongmei
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 235
• a: 10.299 ± 0.001 Å
• b: 15.4938 ± 0.0016 Å
• c: 17.3672 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2771.3 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1635
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No