Information card for entry 7042589

Structure parameters

• Formula: C56 H82 Mg N4 O2
• Calculated formula: C56 H82 Mg N4 O2
• Title of publication: Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.
• Authors of publication: McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5048 - 5057
• a: 10.6847 ± 0.0009 Å
• b: 26.0458 ± 0.0007 Å
• c: 19.3381 ± 0.0011 Å
• α: 90°
• β: 100.316 ± 0.007°
• γ: 90°
• Cell volume: 5294.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No