Information card for entry 4080243

Structure parameters

• Formula: C52 H90.25 Li N O3 Sc Si3
• Calculated formula: C52 H90.256 Li N O3 Sc Si3
• Title of publication: AchiralCs-Symmetric Half-Sandwich Scandium(III) Complexes with Imine‒Cyclopentadienyl Ligands Catalyze Isotactic Polymerization of 1-Hexene
• Authors of publication: Tao, Xin; Gao, Wei; Huo, Hang; Mu, Ying
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1287
• a: 18.7558 ± 0.0018 Å
• b: 17.5583 ± 0.0017 Å
• c: 18.5051 ± 0.0019 Å
• α: 90°
• β: 108.752 ± 0.002°
• γ: 90°
• Cell volume: 5770.6 ± 1 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• 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: 0.1841
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2309
• Weighted residual factors for all reflections included in the refinement: 0.2878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No