Information card for entry 4069995

Structure parameters

• Formula: C89 H73 N O2 Si2 Ti
• Calculated formula: C89 H73 N O2 Si2 Ti
• SMILES: [Ti]12([n]3c(c4c(O1)c(cc1ccccc41)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)cccc3c1c(O2)c(cc2ccccc12)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(Cc1ccccc1)Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Group 4 Post-metallocene Complexes Incorporating Tridentate Silyl-Substituted Bis(naphthoxy)pyridine and Bis(naphthoxy)thiophene Ligands: Probing Systems for “Oscillating” Olefin Polymerization Catalysis
• Authors of publication: Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5036
• a: 14.4456 ± 0.0009 Å
• b: 27.1008 ± 0.0014 Å
• c: 18.8544 ± 0.0011 Å
• α: 90°
• β: 107.695 ± 0.003°
• γ: 90°
• Cell volume: 7032 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No