Information card for entry 4075927

Structure parameters

• Formula: C39 H65 N2 O3 Yb
• Calculated formula: C39 H65 N2 O3 Yb
• SMILES: [Yb]123(Oc4c(cc(cc4C[N]2(Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)CC[N]3(C)C)C(C)(C)C)C(C)(C)C)([O]1CCCC1)C
• Title of publication: Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone
• Authors of publication: Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 4014
• a: 48.357 ± 0.005 Å
• b: 11.9624 ± 0.0009 Å
• c: 36.189 ± 0.004 Å
• α: 90°
• β: 130.326 ± 0.001°
• γ: 90°
• Cell volume: 15960 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No