Information card for entry 4088624

Structure parameters

• Formula: C11 H5 Cl7 O Ti
• Calculated formula: C11 H5 Cl7 O Ti
• SMILES: [Ti]1234(Cl)(Cl)(Oc5c(Cl)c(Cl)c(Cl)c(Cl)c5Cl)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Efficient Norbornene (NBE) Incorporation in Ethylene/NBE Copolymerization by Half-Titanocene Catalysts Containing Chlorinated Aryloxo Ligands
• Authors of publication: Zhao, Weizhen; Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1895
• a: 15.009 ± 0.012 Å
• b: 16.988 ± 0.012 Å
• c: 13.031 ± 0.011 Å
• α: 90°
• β: 110.154 ± 0.009°
• γ: 90°
• Cell volume: 3119 ± 4 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No