Information card for entry 7042588

Structure parameters

• Formula: C47 H79 N2 O4 Zr
• Calculated formula: C47 H79 N2 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: 24.062 ± 0.0006 Å
• b: 15.1035 ± 0.0003 Å
• c: 30.6787 ± 0.0008 Å
• α: 90°
• β: 117.531 ± 0.003°
• γ: 90°
• Cell volume: 9886.7 ± 0.5 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No