Information card for entry 7042594

Structure parameters

• Formula: C48 H80 N4 O4 Zr
• Calculated formula: C48 H80 N4 O4 Zr
• 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: 9.7777 ± 0.0002 Å
• b: 14.346 ± 0.0003 Å
• c: 19.2145 ± 0.0006 Å
• α: 76.662 ± 0.002°
• β: 81.066 ± 0.002°
• γ: 71.741 ± 0.002°
• Cell volume: 2480.42 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No