Information card for entry 7035133

Structure parameters

• Common name: Bis-(6-methyl pyridonate) Titanium di(ethoxide)
• Formula: C16 H21 N2 O4 Ti
• Calculated formula: C16 H21 N2 O4 Ti
• SMILES: c1c2[n](c(cc1)C)[Ti]1([n]3c(cccc3C)O1)(O2)(OCC)[O]=CC
• Title of publication: Titanium pyridonates for the homo- and copolymerization of rac-lactide and ε-caprolactone.
• Authors of publication: Gilmour, Damon J.; Webster, Ruth L.; Perry, Mitchell R.; Schafer, Laurel L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12411 - 12419
• a: 56.949 ± 0.005 Å
• b: 10.872 ± 0.005 Å
• c: 11.211 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6941 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No