Information card for entry 1550059

Structure parameters

• Formula: C38 H62 Mg N4 O2
• Calculated formula: C38 H62 Mg N4 O2
• SMILES: [Mg]1234(Oc5c(cc(cc5C=[N]1CC[N]2(C)C)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1C=[N]3CC[N]4(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: 17.113 ± 0.0002 Å
• b: 15.0517 ± 0.0002 Å
• c: 29.9562 ± 0.0004 Å
• α: 90°
• β: 90.872 ± 0.001°
• γ: 90°
• Cell volume: 7715.22 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No