Information card for entry 4071422

Structure parameters

• Formula: C43 H71 Lu O6 S2 Si
• Calculated formula: C43 H71 Lu O6 S2 Si
• SMILES: [Lu]123([S](c4c(O2)c(cc(c4)C)C(C)(C)C)C[S]1c1c(O3)c(cc(c1)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)C[Si](C)(C)C.O1CCCC1.O1CCCC1
• Title of publication: Rare-Earth Metal Alkyl and Hydrido Complexes Containing a Thioether-Functionalized Bis(phenolato) Ligand: Efficient Catalysts for Olefin Hydrosilylation
• Authors of publication: Konkol, Marcin; Kondracka, Malgorzata; Voth, Peter; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3774
• a: 13.4712 ± 0.0012 Å
• b: 27.631 ± 0.003 Å
• c: 13.4928 ± 0.0012 Å
• α: 90°
• β: 114.665 ± 0.001°
• γ: 90°
• Cell volume: 4564.1 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No