Information card for entry 4337535

Structure parameters

• Formula: C49 H76 N O5 Yb
• Calculated formula: C49 H76 N O5 Yb
• SMILES: [Yb]123(Oc4c(cc(cc4C[N]3(Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)CC[O]2C)C(C)(C)C)C(C)(C)C)(Oc1c(cccc1C(C)C)C(C)C)[O]1CCCC1
• Title of publication: New [ONOO]-type amine bis(phenolate) ytterbium(II) and -(III) complexes: synthesis, structure, and catalysis for highly heteroselective polymerization of rac-lactide.
• Authors of publication: Yang, Sheng; Nie, Kun; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 105 - 115
• a: 15.387 ± 0.002 Å
• b: 16.533 ± 0.002 Å
• c: 18.915 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4811.8 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No