Information card for entry 7035187

Structure parameters

• Formula: C41 H37 Cl2 F10 N2 O2 Ti
• Calculated formula: C41 H37 Cl2 F10 N2 O2 Ti
• Title of publication: Titanium(iv) catalysts with ancillary imino-spiroketonato ligands: synthesis, structure and olefin polymerization.
• Authors of publication: Ma, Yuguo; Lobkovsky, Emil B.; Coates, Geoffrey W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12265 - 12272
• a: 26.09 ± 0.004 Å
• b: 9.2839 ± 0.0011 Å
• c: 16.883 ± 0.002 Å
• α: 90°
• β: 107.216 ± 0.005°
• γ: 90°
• Cell volume: 3906.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No