Information card for entry 4072550

Structure parameters

• Formula: C51 H63 N6 Y
• Calculated formula: C51 H63 N6 Y
• SMILES: [Y]123([N](c4c(cccc4C(C)C)C(C)C)=Cc4n1ccc4)([N](c1c(cccc1C(C)C)C(C)C)=Cc1n2ccc1)[N](c1c(cccc1C(C)C)C(C)C)=Cc1n3ccc1
• Title of publication: Pyrrolide-Ligated Organoyttrium Complexes. Synthesis, Characterization, and Lactide Polymerization Behavior
• Authors of publication: Yang, Yi; Li, Shihui; Cui, Dongmei; Chen, Xuesi; Jing, Xiabin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 671
• a: 11.688 ± 0.0007 Å
• b: 16.6699 ± 0.001 Å
• c: 24.4478 ± 0.0015 Å
• α: 90°
• β: 100.532 ± 0.001°
• γ: 90°
• Cell volume: 4683.1 ± 0.5 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 4
• 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: 0.0934
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No