Information card for entry 7043464

Structure parameters

• Formula: C34 H38 N2 O2 Zn2
• Calculated formula: C34 H38 N2 O2 Zn2
• SMILES: c12C(=C([O]3[Zn](CC)([n]2cccc1)[O]1C(=C(c2cccc[n]2[Zn]31CC)C)c1ccc(cc1)C)c1ccc(cc1)C)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: 8.3149 ± 0.0005 Å
• b: 9.3219 ± 0.0006 Å
• c: 10.6244 ± 0.0007 Å
• α: 82.944 ± 0.002°
• β: 69.632 ± 0.002°
• γ: 79.457 ± 0.002°
• Cell volume: 757.42 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No