Information card for entry 7043468

Structure parameters

• Formula: C32 H28 F6 N2 O2 Zn2
• Calculated formula: C32 H28 F6 N2 O2 Zn2
• SMILES: c12C=C([O]3[Zn](CC)([n]2cccc1)[O]1C(=Cc2cccc[n]2[Zn]31CC)c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
• Title of publication: β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides
• Authors of publication: Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.0405 ± 0.0006 Å
• b: 11.068 ± 0.0007 Å
• c: 13.8622 ± 0.0008 Å
• α: 90°
• β: 96.454 ± 0.002°
• γ: 90°
• Cell volume: 1530.72 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No