Information card for entry 4075097

Structure parameters

• Formula: C47.5 H62 O2 S2 Ti
• Calculated formula: C47.5 H62 O2 S2 Ti
• Title of publication: Living Isospecific Styrene Polymerization by Chiral Benzyl Titanium Complexes That Contain a Tetradentate [OSSO]-Type Bis(phenolato) Ligand
• Authors of publication: Beckerle, Klaus; Manivannan, Ramanujachary; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 3019
• a: 9.4075 ± 0.0018 Å
• b: 15.683 ± 0.003 Å
• c: 16.292 ± 0.003 Å
• α: 104.389 ± 0.005°
• β: 102.912 ± 0.005°
• γ: 103.148 ± 0.005°
• Cell volume: 2165.1 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0561
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No