Information card for entry 4065612

Structure parameters

• Formula: C59 H51 B Cl F20 N2 O4 Sc Si
• Calculated formula: C59 H51 B Cl F20 N2 O4 Sc Si
• SMILES: [Sc]12([n]3cccc4cccc(N1c1c(cccc1C)C)c34)([O](CC[O]2C)C)([O](C)CCOC)C[Si](C)(C)C.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1(ccccc1)Cl
• Title of publication: Stereoselective Polymerization of Styrene with Cationic Scandium Precursors Bearing Quinolyl Aniline Ligands
• Authors of publication: Liu, Dongtao; Luo, Yunjie; Gao, Wei; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1916
• a: 11.4122 ± 0.0009 Å
• b: 12.4172 ± 0.001 Å
• c: 21.491 ± 0.0016 Å
• α: 90.382 ± 0.001°
• β: 103.852 ± 0.001°
• γ: 94.011 ± 0.001°
• Cell volume: 2948.8 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No