Information card for entry 4082047

Structure parameters

• Formula: C48 H54 Li2 N4 O6
• Calculated formula: C40 H38 Li2 N4 O4
• SMILES: [Li]12([O]3CCCC3)[O](c3c(c4c(cccc4)cc3)N=[N]1c1ccccc1)[Li]1([O]3CCCC3)[O]2c3c(c2c(cccc2)cc3)N=[N]1c1ccccc1
• Title of publication: Synthesis and Structure of Homo- and Heterometallic Lithium‒Magnesium Complexes and Their Reactivity in the ROP ofrac-Lactide
• Authors of publication: Gallegos, Carlos; Tabernero, Vanessa; Garc\?ía-Valle, Francisco M.; Mosquera, Marta E. G.; Cuenca, Tomás; Cano, Jesús
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6624
• a: 9.89 ± 0.002 Å
• b: 15.632 ± 0.003 Å
• c: 14.782 ± 0.003 Å
• α: 90°
• β: 104.81 ± 0.03°
• γ: 90°
• Cell volume: 2209.4 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No