Information card for entry 1505777

Structure parameters

• Formula: C30 H46 Br2 N4 O3 Zn2
• Calculated formula: C30 H46 Br2 N4 O3 Zn2
• SMILES: Brc1cc2C=[N]3[Zn]4([O]([Zn]56([O]4c4c(C=[N]6CC[N]5(C)C)cc(Br)cc4)CC)c2cc1)([N](C)(C)CC3)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: 11.466 ± 0.005 Å
• b: 14.302 ± 0.007 Å
• c: 21.437 ± 0.01 Å
• α: 90°
• β: 95.185 ± 0.011°
• γ: 90°
• Cell volume: 3501 ± 3 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: 0.1824
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No