Information card for entry 4087011

Structure parameters

• Formula: C24 H42 Mg N6
• Calculated formula: C24 H42 Mg N6
• SMILES: [Mg]12([n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)/C(=N\C(C)(C)C)N2C(C)(C)C)C(C)(C)C
• Title of publication: Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide
• Authors of publication: Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 4
• Pages of publication: 884
• a: 12.3315 ± 0.0006 Å
• b: 13.9898 ± 0.0007 Å
• c: 15.2758 ± 0.0007 Å
• α: 90°
• β: 91.561 ± 0.002°
• γ: 90°
• Cell volume: 2634.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No