Information card for entry 7043467

Structure parameters

• Formula: C34 H38 N2 O4 Zn2
• Calculated formula: C34 H38 N2 O4 Zn2
• SMILES: C(C)[Zn]12[O](C(=C(c3cccc[n]13)C)c1ccc(cc1)OC)[Zn]1(CC)[n]3c(C(=C([O]21)c1ccc(OC)cc1)C)cccc3
• 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: 8.4891 ± 0.0009 Å
• b: 9.3386 ± 0.0011 Å
• c: 10.7644 ± 0.0013 Å
• α: 77.632 ± 0.003°
• β: 73.281 ± 0.004°
• γ: 87.149 ± 0.003°
• Cell volume: 798.26 ± 0.16 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: 0.0975
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No