Information card for entry 1513272

Structure parameters

• Formula: C22 H28 Br2 N4 O2 Zn
• Calculated formula: C22 H28 Br2 N4 O2 Zn
• SMILES: Brc1cc2C=[N]([Zn]3(Oc2cc1)Oc1c(C=[N]3CCN(C)C)cc(Br)cc1)CCN(C)C
• 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: 9.2428 ± 0.0008 Å
• b: 11.5764 ± 0.001 Å
• c: 11.4434 ± 0.001 Å
• α: 89.98 ± 0.002°
• β: 102.657 ± 0.002°
• γ: 89.997 ± 0.002°
• Cell volume: 1194.67 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1505780
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No