Information card for entry 1519366

Structure parameters

• Chemical name: complex 7
• Formula: C52 H76 N3 O4 Si2 Y
• Calculated formula: C52 H76 N3 O4 Si2 Y
• SMILES: [Y]1234([N](c5c([O]2c2ccccc2[N]1=Cc1c(O4)c(cc(c1)C(C)(C)C)C(C)(C)C)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: 17.6572 ± 0.0006 Å
• b: 14.6349 ± 0.0005 Å
• c: 20.3043 ± 0.0007 Å
• α: 90°
• β: 98.333 ± 0.003°
• γ: 90°
• Cell volume: 5191.5 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0815
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No