Information card for entry 4082049

Structure parameters

• Formula: C114 H84 Li2 Mg2 N12 O6
• Calculated formula: C114 H84 Li2 Mg2 N12 O6
• SMILES: [N]1(c2ccccc2)=Nc2c(ccc3c2cccc3)[O]([Li]234)[Mg]156([O]([Li]178)c9ccc%10c(c9N=[N]5c5ccccc5)cccc%10)[O]2(c2ccc5c(c2/[N]3=N/c2ccccc2)cccc5)[Mg]23([O]4c4c(c5c(cc4)cccc5)N=[N]2c2ccccc2)([O]1c1ccc2c(c1N=[N]3c3ccccc3)cccc2)[O]67c1ccc2c(c1/[N]8=N/c1ccccc1)cccc2.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 12.532 ± 0.0008 Å
• b: 14.1422 ± 0.0008 Å
• c: 15.7838 ± 0.001 Å
• α: 115.283 ± 0.004°
• β: 91.199 ± 0.007°
• γ: 111.28 ± 0.005°
• Cell volume: 2305 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1528
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No