Information card for entry 1519365

Structure parameters

• Chemical name: complex 6
• Formula: C52 H76 N3 O4 Si2 Yb
• Calculated formula: C52 H76 N3 O4 Si2 Yb
• SMILES: [Yb]1234([N](c5c([O]2c2c([N]1=Cc1c(O4)c(cc(c1)C(C)(C)C)C(C)(C)C)cccc2)cccc5)=Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.O1CCCC1
• Title of publication: Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide
• Authors of publication: Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 3302
• a: 17.715 ± 0.01 Å
• b: 14.656 ± 0.008 Å
• c: 20.41 ± 0.02 Å
• α: 90°
• β: 98.17 ± 0.02°
• γ: 90°
• Cell volume: 5245 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No