Information card for entry 1505776

Structure parameters

• Formula: C30 H46 Cl2 N4 O3 Zn2
• Calculated formula: C30 H46 Cl2 N4 O3 Zn2
• SMILES: [Zn]123([O]([Zn]45([O]1c1c(C=[N]5CC[N]4(C)C)cc(Cl)cc1)CC)c1c(C=[N]3CC[N]2(C)C)cc(Cl)cc1)CC.O1CCCC1
• Title of publication: Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands
• Authors of publication: Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh
• Journal of publication: Macromolecules
• Year of publication: 2006
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 3745 - 3752
• a: 11.326 ± 0.001 Å
• b: 14.2735 ± 0.0013 Å
• c: 21.298 ± 0.002 Å
• α: 90°
• β: 94.144 ± 0.002°
• γ: 90°
• Cell volume: 3434.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0965
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No