Information card for entry 7035131

Structure parameters

• Common name: Tris-(6-methyl pyridonate)-Titanium dimethylamido
• Formula: C20 H24 N4 O3 Ti
• Calculated formula: C20 H24 N4 O3 Ti
• SMILES: [Ti]123(Oc4[n]2c(ccc4)C)(Oc2[n]3c(ccc2)C)(Oc2[n]1c(ccc2)C)N(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: 15.541 ± 0.005 Å
• b: 15.777 ± 0.005 Å
• c: 17.71 ± 0.005 Å
• α: 90 ± 0.005°
• β: 113.229 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3990 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No