Information card for entry 4336605

Structure parameters

• Formula: C22 H40 Mg N6 Si
• Calculated formula: C22 H40 Mg N6 Si
• SMILES: [Mg]12([n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)/C(=N\CC)N2C(C)(C)C)C[Si](C)(C)C
• 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: 11.052 ± 0.005 Å
• b: 11.394 ± 0.006 Å
• c: 11.926 ± 0.006 Å
• α: 83.451 ± 0.008°
• β: 73.891 ± 0.008°
• γ: 65.508 ± 0.008°
• Cell volume: 1313 ± 1.1 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No