Information card for entry 7020358

Structure parameters

• Formula: C18 H40 N2 O4 Ti
• Calculated formula: C18 H40 N2 O4 Ti
• SMILES: [Ti]123(OC(C)(C)C[N]2(C)CC[N]3(C)CC(O1)(C)C)(OC(C)C)OC(C)C
• Title of publication: Synthesis, X-ray structures, and controlled ring opening polymerization behavior of L-lactide using titanium complexes chelated by tetradentate diamine-diethanolate ligand.
• Authors of publication: Kim, So Han; Kim, Da Jung; Go, Min Jeong; Ko, Young Soo; Lee, Junseong; Kim, Youngjo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 38
• Pages of publication: 11619 - 11626
• a: 9.1651 ± 0.0004 Å
• b: 9.2522 ± 0.0003 Å
• c: 15.1186 ± 0.0006 Å
• α: 105.316 ± 0.002°
• β: 97.911 ± 0.002°
• γ: 109.093 ± 0.002°
• Cell volume: 1132.61 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No