Information card for entry 4085301

Structure parameters

• Formula: C64 H50 Li2 N2 O4
• Calculated formula: C50 H68 Li2 N2 O4
• SMILES: [Li]12([O]3c4c(C=[N](c5ccccc5)[Li]3([O]2c2c(C=[N]1c1ccccc1)cc(cc2C(C)(C)C)C(C)(C)C)[O]1CCCC1)cc(cc4C(C)(C)C)C(C)(C)C)[O]1CCCC1
• Title of publication: Metal and Ligand-Substituent Effects in the Immortal Polymerization ofrac-Lactide with Li, Na, and K Phenoxo-imine Complexes
• Authors of publication: García-Valle, Francisco M.; Estivill, Robert; Gallegos, Carlos; Cuenca, Tomás; Mosquera, Marta E. G.; Tabernero, Vanessa; Cano, Jesús
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 477
• a: 16.949 ± 0.006 Å
• b: 10.441 ± 0.003 Å
• c: 19.846 ± 0.006 Å
• α: 90°
• β: 111.53 ± 0.02°
• γ: 90°
• Cell volume: 3267 ± 1.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1834
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2461
• Weighted residual factors for all reflections included in the refinement: 0.2803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No