Information card for entry 7035132

Structure parameters

• Common name: Bis-(6-methyl pyridonate) Titanium di(isopropoxide)
• Formula: C18 H26 N2 O4 Ti
• Calculated formula: C18 H26 N2 O4 Ti
• SMILES: c12[n](c(ccc1)C)[Ti]1(Oc3cccc([n]13)C)(O2)(OC(C)C)OC(C)C
• 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: 11.5499 ± 0.0006 Å
• b: 13.1813 ± 0.0006 Å
• c: 26.74 ± 0.001 Å
• α: 90°
• β: 102.394 ± 0.003°
• γ: 90°
• Cell volume: 3976.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No