Information card for entry 1520486

Structure parameters

• Formula: C42 H55 Cl4 N2 O5 Y
• Calculated formula: C42 H55 Cl4 N2 O5 Y
• SMILES: [Y]123([N](CC(C[N]1=Cc1c(O3)c(Cl)cc(Cl)c1)(C)C)=Cc1c(O2)c(Cl)cc(Cl)c1)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and Characterization of Yttrium and Ytterbium Complexes Supported by Salen Ligands and Their Catalytic Properties forrac-Lactide Polymerization
• Authors of publication: Gu, Weikai; Xu, Pengfei; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Shen, Qi
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2907
• a: 11.801 ± 0.002 Å
• b: 20.57 ± 0.004 Å
• c: 18.885 ± 0.004 Å
• α: 90°
• β: 104.53 ± 0.03°
• γ: 90°
• Cell volume: 4437.6 ± 1.6 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: 0.0779
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No