Information card for entry 4336608

Structure parameters

• Formula: C56 H108 Mg4 N12 O2 Si4
• Calculated formula: C56 H108 Mg4 N12 O2 Si4
• SMILES: c1(cc(C)n2C34C(=[N](C(C)C)[Mg](C[Si](C)(C)C)([n]12)[n]1c(cc(C)n31)C)N(C(C)C)[Mg]4(C[Si](C)(C)C)[O]1CC[O](CC1)[Mg]1([C]23C(=[N](C(C)C)[Mg](C[Si](C)(C)C)([n]4c(cc(C)n24)C)[n]2c(cc(C)n32)C)N1C(C)C)C[Si](C)(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: 11.3786 ± 0.0014 Å
• b: 12.0645 ± 0.0015 Å
• c: 14.6022 ± 0.0018 Å
• α: 70.678 ± 0.002°
• β: 78.414 ± 0.002°
• γ: 89.274 ± 0.002°
• Cell volume: 1850 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No