Information card for entry 7105028

Structure parameters

• Formula: C40 H60 N2 O4 Ti
• Calculated formula: C40 H60 N2 O4 Ti
• Title of publication: New facets of an old ligand: titanium and zirconium complexes of phenylenediamine bis(phenolate) in lactide polymerisation catalysis.
• Authors of publication: Zelikoff, Ayellet L; Kopilov, Jacob; Goldberg, Israel; Coates, Geoffrey W; Kol, Moshe
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 6804 - 6806
• a: 15.9917 ± 0.0004 Å
• b: 50.3346 ± 0.001 Å
• c: 9.9634 ± 0.0002 Å
• α: 90°
• β: 95.3742 ± 0.0007°
• γ: 90°
• Cell volume: 7984.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1862
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No