Information card for entry 4315171

Structure parameters

• Formula: C33 H40 Mg N4 Si
• Calculated formula: C33 H40 Mg N4 Si
• SMILES: [Mg]123456([n]7n(C(n8[n]1c(cc8C)C)C([c]12[cH]3[cH]4[cH]5[cH]61)(c1ccccc1)c1ccccc1)c(cc7C)C)C[Si](C)(C)C
• Title of publication: Hybrid Scorpionate/Cyclopentadienyl Magnesium and Zinc Complexes: Synthesis, Coordination Chemistry, and Ring-Opening Polymerization Studies on Cyclic Esters
• Authors of publication: Andrés Garcés; Luis F. Sánchez-Barba; Carlos Alonso-Moreno; Mariano Fajardo; Juan Fernández-Baeza; Antonio Otero; Agustín Lara-Sánchez; Isabel López-Solera; Ana María Rodríguez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2859 - 2871
• a: 9.063 ± 0.01 Å
• b: 13.584 ± 0.019 Å
• c: 13.952 ± 0.019 Å
• α: 114.121 ± 0.018°
• β: 96.94 ± 0.03°
• γ: 90.904 ± 0.015°
• Cell volume: 1552 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1551
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No