Information card for entry 1506428

Structure parameters

• Formula: C66 H70 N4 O8 Zn3
• Calculated formula: C66 H70 N4 O8 Zn3
• SMILES: [Zn]12(N(C(=CC(=[N]2c2ccccc2OC)C)C)c2ccccc2OC)[O](Cc2ccccc2)[Zn]2([O](Cc3ccccc3)[Zn]3(N(C(=CC(=[N]3c3ccccc3OC)C)C)c3ccccc3OC)[O]2Cc2ccccc2)[O]1Cc1ccccc1
• Title of publication: A Highly Efficient Initiator for the Ring-Opening Polymerization of Lactides and ε-Caprolactone: A Kinetic Study
• Authors of publication: Chen, Hsuan-Ying; Huang, Bor-Hunn; Lin, Chu-Chieh
• Journal of publication: Macromolecules
• Year of publication: 2005
• Journal volume: 38
• Journal issue: 13
• Pages of publication: 5400
• a: 11.2879 ± 0.0009 Å
• b: 11.5445 ± 0.0009 Å
• c: 25.113 ± 0.002 Å
• α: 89.141 ± 0.002°
• β: 84.148 ± 0.002°
• γ: 76.224 ± 0.002°
• Cell volume: 3161.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No