Information card for entry 1520488

Structure parameters

• Formula: C50 H75 N2 O3 Y
• Calculated formula: C50 H75 N2 O3 Y
• SMILES: [Y]123(Oc4c(cc(cc4C=[N]2CC(C)(C)C[N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)C
• 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: 10.5853 ± 0.0004 Å
• b: 12.7151 ± 0.0005 Å
• c: 19.2574 ± 0.0007 Å
• α: 89.476 ± 0.003°
• β: 76.593 ± 0.003°
• γ: 74.104 ± 0.003°
• Cell volume: 2420.77 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No