Information card for entry 7043463

Structure parameters

• Formula: C26 H38 N2 O2 Zn2
• Calculated formula: C26 H38 N2 O2 Zn2
• SMILES: [Zn]12([O]([Zn]3([O]1C(=Cc1[n]3cccc1)C(C)(C)C)CC)C(=Cc1[n]2cccc1)C(C)(C)C)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: 14.3802 ± 0.0007 Å
• b: 13.2221 ± 0.0007 Å
• c: 15.026 ± 0.0008 Å
• α: 90°
• β: 108.765 ± 0.002°
• γ: 90°
• Cell volume: 2705.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No