Information card for entry 4086386

Structure parameters

• Formula: C22 H32 N4 O Zn2
• Calculated formula: C22 H32 N4 O Zn2
• SMILES: [Zn]12([n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)C([O]2[Zn](C)C)c1ccc(cc1)C)C
• Title of publication: Copolymerization of Cyclic Esters Controlled by Chiral NNO-Scorpionate Zinc Initiators
• Authors of publication: Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 189
• a: 9.6213 ± 0.0015 Å
• b: 10.033 ± 0.0017 Å
• c: 15.394 ± 0.002 Å
• α: 73.399 ± 0.009°
• β: 72.122 ± 0.009°
• γ: 79.147 ± 0.009°
• Cell volume: 1347 ± 0.4 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: 0.0506
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0936
• 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