Information card for entry 4315170

Structure parameters

• Formula: C40 H46 Mg N4
• Calculated formula: C40 H46 Mg N4
• 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(C)(C)C.Cc1ccccc1
• 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: 9.1521 ± 0.0013 Å
• b: 21.851 ± 0.003 Å
• c: 17.09 ± 0.002 Å
• α: 90°
• β: 95.141 ± 0.002°
• γ: 90°
• Cell volume: 3404 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No