Information card for entry 4085304

Structure parameters

• Formula: C72 H100 N2 Na2 O4
• Calculated formula: C72 H100 N2 Na2 O4
• SMILES: [Na]12([N](=Cc3c([O]2[Na]2([O]1c1c(cc(cc1C=[N]2c1ccccc1C(C)(C)C)C(C)(C)C)C(C)(C)C)[O]1CCCC1)c(cc(c3)C(C)(C)C)C(C)(C)C)c1ccccc1C(C)(C)C)[O]1CCCC1.Cc1ccccc1.Cc1ccccc1
• 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: 9.1395 ± 0.0019 Å
• b: 13.923 ± 0.0012 Å
• c: 26.217 ± 0.005 Å
• α: 90°
• β: 97.2 ± 0.02°
• γ: 90°
• Cell volume: 3309.8 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2277
• Weighted residual factors for all reflections included in the refinement: 0.2608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No