Information card for entry 4073053

Structure parameters

• Formula: C43 H74 N2 O3 Si Y
• Calculated formula: C43 H75 N2 O3 Si Y
• SMILES: [Y]123([N](Cc4cc(cc(c4O2)C(C)(C)C)C(C)(C)C)(Cc2cc(cc(c2O3)C(C)(C)C)C(C)(C)C)CCC[N]1(C)C)([O]1CCCC1)C[Si](C)(C)C
• Title of publication: Achiral Lanthanide Alkyl Complexes Bearing N,O Multidentate Ligands. Synthesis and Catalysis of Highly Heteroselective Ring-Opening Polymerization ofrac-Lactide
• Authors of publication: Liu, Xinli; Shang, Xiaomin; Tang, Tao; Hu, Ninghai; Pei, Fengkui; Cui, Dongmei; Chen, Xuesi; Jing, Xiabin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2747
• a: 12.0297 ± 0.0008 Å
• b: 18.0692 ± 0.0012 Å
• c: 21.8956 ± 0.0015 Å
• α: 90°
• β: 104.99 ± 0.001°
• γ: 90°
• Cell volume: 4597.4 ± 0.5 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 6
• 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: 0.0895
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No