Information card for entry 7043460

Structure parameters

• Formula: C32 H34 N2 O2 Zn2
• Calculated formula: C32 H34 N2 O2 Zn2
• SMILES: c12cccc[n]1[Zn]1([O](C(=C2)c2ccccc2C)[Zn]2([n]3c(C=C([O]12)c1ccccc1C)cccc3)CC)CC
• 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: 14.0974 ± 0.0005 Å
• b: 8.6016 ± 0.0003 Å
• c: 23.255 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2819.91 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No