Information card for entry 4078427

Structure parameters

• Formula: C17 H28 N4 O Zn
• Calculated formula: C17 H28 N4 O Zn
• SMILES: [Zn]12([n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)C(O2)C(C)(C)C)C
• Title of publication: ChiralN,N,O-Scorpionate Zinc Alkyls as Effective and Stereoselective Initiators for the Living ROP of Lactides
• Authors of publication: Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Tejeda, Juan; Honrado, Manuel; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4191
• a: 11.5485 ± 0.0003 Å
• b: 11.1502 ± 0.0003 Å
• c: 14.8159 ± 0.0004 Å
• α: 90°
• β: 103.49 ± 0.002°
• γ: 90°
• Cell volume: 1855.18 ± 0.09 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No