Information card for entry 4085302

Structure parameters

• Formula: C46 H60 Li2 N2 O4
• Calculated formula: C46 H60 Li2 N2 O4
• SMILES: [O]12[Li]([N](=Cc3c1cccc3)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)[O]1[Li]2([N](=Cc2c1cccc2)c1c(cccc1C(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: 8.339 ± 0.002 Å
• b: 11.36 ± 0.003 Å
• c: 11.364 ± 0.003 Å
• α: 89.73 ± 0.02°
• β: 76.207 ± 0.014°
• γ: 86.499 ± 0.019°
• Cell volume: 1043.5 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No