Information card for entry 7031468

Structure parameters

• Formula: C82 H106 N2 O8 Zr2
• Calculated formula: C82 H106 N2 O8 Zr2
• Title of publication: Synthesis and characterisation of unsymmetrical Zr(iv) amine tris(phenolate) complexes and their application in ROP of rac-LA.
• Authors of publication: Forder, Thomas R.; Mahon, Mary F.; Davidson, Matthew G.; Woodman, Timothy; Jones, Matthew D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 12095 - 12099
• a: 29.365 ± 0.0006 Å
• b: 29.365 ± 0.0006 Å
• c: 23.302 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17401.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No