Information card for entry 4079854

Structure parameters

• Formula: C58 H90 N6 O8 Ti2
• Calculated formula: C58 H90 N6 O8 Ti2
• 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: 12.5205 ± 0.0002 Å
• b: 20.7663 ± 0.0003 Å
• c: 22.532 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5858.42 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No