Information card for entry 4514302

Structure parameters

• Formula: C60 H86 O5 P Sc
• Calculated formula: C60 H86 O5 P Sc
• Title of publication: Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes
• Authors of publication: Xu, Pengfei; Xu, Xin
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 198
• a: 13.4046 ± 0.0006 Å
• b: 15.1609 ± 0.0007 Å
• c: 28.5176 ± 0.0013 Å
• α: 90°
• β: 103.471 ± 0.002°
• γ: 90°
• Cell volume: 5636.1 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 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: 0.0757
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No