Information card for entry 7043466

Structure parameters

• Formula: C32 H34 N2 O2 Zn2
• Calculated formula: C32 H34 N2 O2 Zn2
• SMILES: c12C=C([O]3[Zn](CC)([n]2cccc1)[O]1[Zn]3(CC)[n]2c(C=C1c1ccc(cc1)C)cccc2)c1ccc(cc1)C
• 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: 8.6494 ± 0.001 Å
• b: 9.7141 ± 0.0012 Å
• c: 10.1944 ± 0.0013 Å
• α: 109.661 ± 0.004°
• β: 104.64 ± 0.004°
• γ: 108.913 ± 0.003°
• Cell volume: 697.3 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No