Information card for entry 7019240

Structure parameters

• Formula: C38 H34 Br4 O2 Ti2
• Calculated formula: C38 H34 Br4 O2 Ti2
• SMILES: [c]123[c]4([c]5([c]6([c]1(C)[Ti]3456(Oc1c2cc2c(c1c1c3c(cc4[c]56[c]7([c]8([c]9([c]5(C)[Ti]6789(Oc14)(Br)Br)C)C)C)cccc3)cccc2)(Br)Br)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: 12.1649 ± 0.0004 Å
• b: 12.1649 ± 0.0004 Å
• c: 24.8696 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3680.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No