Information card for entry 1550062

Structure parameters

• Formula: C47 H52 Cl8 N8 O4 Zn2
• Calculated formula: C47 H52 Cl8 N8 O4 Zn2
• 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: 11.3788 ± 0.0003 Å
• b: 11.6856 ± 0.0002 Å
• c: 21.1747 ± 0.0005 Å
• α: 105.712 ± 0.002°
• β: 94.301 ± 0.002°
• γ: 104.647 ± 0.002°
• Cell volume: 2590.97 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No