Information card for entry 7035135

Structure parameters

• Common name: Bis-(6-methyl pyridonate) Titanium di(dimethylamido)
• Formula: C16 H24 N4 O2 Ti
• Calculated formula: C16 H24 N4 O2 Ti
• SMILES: [Ti]12(Oc3[n]2c(ccc3)C)(Oc2[n]1c(ccc2)C)(N(C)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: 8.9799 ± 0.0006 Å
• b: 9.373 ± 0.0006 Å
• c: 12.3255 ± 0.0008 Å
• α: 82.246 ± 0.004°
• β: 74.71 ± 0.004°
• γ: 62.042 ± 0.004°
• Cell volume: 883.83 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No