Information card for entry 4079857

Structure parameters

• Formula: C47 H56 Cl2 N6 O4 Ti
• Calculated formula: C47 H56 Cl2 N6 O4 Ti
• Title of publication: Facile Synthesis of Well-Defined Titanium Alkoxides Based on Benzotriazole Phenoxide Ligands: Efficient Catalysts for Ring-Opening Polymerization of Cyclic Esters
• Authors of publication: Li, Chen-Yu; Yu, Chia-Jung; Ko, Bao-Tsan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 172
• a: 10.0672 ± 0.0002 Å
• b: 15.48 ± 0.0003 Å
• c: 16.4468 ± 0.0004 Å
• α: 110.522 ± 0.001°
• β: 103.266 ± 0.001°
• γ: 99.374 ± 0.001°
• Cell volume: 2251.58 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No