Information card for entry 4078428

Structure parameters

• Formula: C50 H76 N8 O2 Zn2
• Calculated formula: C50 H76 N8 O2 Zn2
• SMILES: C(C)[Zn]12[n]3c(cc(C)n3[C@H](n3c(cc(C)n3)C)[C@H]([O]2[Zn]2([n]3c(cc(C)n3[C@@H](n3c(cc(C)n3)C)[C@@H]([O]12)C(C)(C)C)C)CC)C(C)(C)C)C.c1(ccccc1)C.c1(ccccc1)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: 9.0973 ± 0.0011 Å
• b: 11.1423 ± 0.0015 Å
• c: 13.1146 ± 0.0016 Å
• α: 101.709 ± 0.008°
• β: 92.045 ± 0.01°
• γ: 90.519 ± 0.007°
• Cell volume: 1300.7 ± 0.3 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: 0.052
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No