Information card for entry 4339765

Structure parameters

• Formula: C28 H40 Cl3 N O3 Ti
• Calculated formula: C28 H40 Cl3 N O3 Ti
• SMILES: [Ti]12(Cl)(Cl)(Cl)Oc3c(cc(cc3C=[N]1[C@@H]1[C@H]([OH]2)Cc2ccccc12)C(C)(C)C)C(C)(C)C.O(CC)CC
• Title of publication: Novel chlorotitanium complexes containing chiral tridentate schiff base ligands for ring-opening polymerization of lactide.
• Authors of publication: Lee, Junseong; Kim, Youngjo; Do, Youngkyu
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7701 - 7703
• a: 10.9666 ± 0.0006 Å
• b: 12.2922 ± 0.0007 Å
• c: 23.8353 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3213.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No