Information card for entry 7019239

Structure parameters

• Formula: C31 H29 Cl3 N0 O2 Ti
• Calculated formula: C31 H29 Cl3 O2 Ti
• SMILES: [Ti]1234(Cl)(Cl)(Cl)[c]5(c6cc7c(c(c8c(OC)ccc9c8cccc9)c6OC)cccc7)[c]1([c]3([c]4([c]25C)C)C)C
• 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: 8.4968 ± 0.001 Å
• b: 13.2926 ± 0.0016 Å
• c: 24.819 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2803.2 ± 0.6 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• 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: 0.1458
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No