Information card for entry 7124946

Structure parameters

• Formula: C167 H278 Al4 N8 O12
• Calculated formula: C167 H278 Al4 N8 O12
• Title of publication: Aluminium salalens vs. salans: "Initiator Design" for the isoselective polymerisation of rac-lactide.
• Authors of publication: McKeown, Paul; Davidson, Matthew G.; Kociok-Köhn, Gabriele; Jones, Matthew D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 68
• Pages of publication: 10431 - 10434
• a: 29.9091 ± 0.0005 Å
• b: 11.0908 ± 0.0002 Å
• c: 25.9834 ± 0.0004 Å
• α: 90°
• β: 108.075 ± 0.002°
• γ: 90°
• Cell volume: 8193.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0399
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No