Information card for entry 4075929

Structure parameters

• Formula: C50 H72 Er N3 O3
• Calculated formula: C50 H72 Er N3 O3
• SMILES: [Er]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)N(c1ccccc1)c1ccccc1
• 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: 10.7883 ± 0.0012 Å
• b: 22.409 ± 0.002 Å
• c: 19.903 ± 0.002 Å
• α: 90°
• β: 100.151 ± 0.003°
• γ: 90°
• Cell volume: 4736.3 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No