Information card for entry 4336606

Structure parameters

• Formula: C25 H36 Mg N6
• Calculated formula: C25 H36 Mg N6
• SMILES: [Mg]12([n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)/C(=N\CC)N2C(C)(C)C)Cc1ccccc1
• Title of publication: Heteroscorpionate Magnesium Alkyls Bearing Unprecedented Apical σ-C(sp3)-Mg Bonds: Heteroselective Ring-Opening Polymerization of rac-Lactide
• Authors of publication: Andrés Garcés; Luis F. Sánchez-Barba; Juan Fernández-Baeza; Antonio Otero; Manuel Honrado; Agustín Lara-Sánchez; Ana M. Rodríguez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12691 - 12701
• a: 12.238 ± 0.004 Å
• b: 14.626 ± 0.003 Å
• c: 15.19 ± 0.006 Å
• α: 90°
• β: 97.45 ± 0.05°
• γ: 90°
• Cell volume: 2696 ± 1.5 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 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: 0.1791
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No