Information card for entry 7019241

Structure parameters

• Formula: C29 H24 Br2 O2 Ti
• Calculated formula: C29 H24 Br2 O2 Ti
• SMILES: Br[Ti]12345(Br)[c]6([c]1([c]2([c]3([c]46C)C)C)C)c1cc2ccccc2c(c1O5)c1c2ccccc2ccc1O
• Title of publication: Synthesis and structures of (R)-cyclopentadienyl-binaphthoxy titanium(iv) complexes and catalytic properties for olefin polymerization.
• Authors of publication: Wang, Li; Wu, Qiaolin; Xu, Hao; Mu, Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7350 - 7357
• a: 14.4117 ± 0.0006 Å
• b: 15.2587 ± 0.0006 Å
• c: 23.3763 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5140.5 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No