Information card for entry 1550058

Structure parameters

• Formula: C23.5 H30 N4 O2 Zn
• Calculated formula: C23.5 H30 N4 O2 Zn
• SMILES: [Zn]1234(Oc5c(cccc5)C=[N]1CC[NH]2C)Oc1ccccc1C=[N]3CC[NH]4C.c1(ccccc1)C
• Title of publication: Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide
• Authors of publication: McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 44
• Pages of publication: 5339
• a: 12.093 ± 0.001 Å
• b: 14.8544 ± 0.0012 Å
• c: 13.2064 ± 0.0015 Å
• α: 90°
• β: 105.887 ± 0.011°
• γ: 90°
• Cell volume: 2281.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.19 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No