Information card for entry 1550063

Structure parameters

• Formula: C38 H62 N4 O2 Zn
• Calculated formula: C38 H62 N4 O2 Zn
• SMILES: [Zn]123(Oc4c(cc(cc4C=[N]1CC[N]2(C)C)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1C=[N]3CCN(C)C)C(C)(C)C)C(C)(C)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: 17.0865 ± 0.0003 Å
• b: 15.0333 ± 0.0002 Å
• c: 30.0246 ± 0.0004 Å
• α: 90°
• β: 91.193 ± 0.001°
• γ: 90°
• Cell volume: 7710.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No