Information card for entry 4082048

Structure parameters

• Formula: C48 H54 Mg N4 O6
• Calculated formula: C48 H54 Mg N4 O6
• SMILES: c1(ccc2ccccc2c1N=[N]1c2ccccc2)O[Mg]12(Oc1ccc3ccccc3c1N=[N]2c1ccccc1)([O]1CCCC1)[O]1CCCC1.C1OCCC1.C1CCCO1
• 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: 10.1711 ± 0.0014 Å
• b: 13.917 ± 0.003 Å
• c: 15.184 ± 0.002 Å
• α: 90°
• β: 103.192 ± 0.011°
• γ: 90°
• Cell volume: 2092.6 ± 0.6 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: 0.1213
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No