Information card for entry 4307270

Structure parameters

• Formula: C46 H69 N2 O4 Yb
• Calculated formula: C46 H69 N2 O4 Yb
• SMILES: [Yb]1234(Oc5c(cc(cc5C[N]3(Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)CC[N]4(C)C)C(C)(C)C)C(C)(C)C)([O](CC[O]2C)C)C#Cc1ccccc1
• Title of publication: Ytterbium(II) Complex Bearing a Diaminobis(phenolate) Ligand: Synthesis, Structure, and One-Electron-Transfer and ε-Caprolactone Polymerization Reactions
• Authors of publication: Hui Zhou; Huadong Guo; Yingming Yao; Liying Zhou; Hongmei Sun; Hongting Sheng; Yong Zhang; Qi Shen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 958 - 964
• a: 20.1597 ± 0.0018 Å
• b: 10.5615 ± 0.0008 Å
• c: 23.409 ± 0.002 Å
• α: 90°
• β: 114.011 ± 0.002°
• γ: 90°
• Cell volume: 4552.9 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No