Information card for entry 4088625

Structure parameters

• Formula: C15 H9 Cl5 O Ti
• Calculated formula: C15 H9 Cl5 O Ti
• SMILES: [Ti]1234(Cl)(Cl)(Oc5c(Cl)cc(Cl)cc5Cl)[c]56cccc[c]46[cH]3[cH]2[cH]15
• 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: 14.302 ± 0.009 Å
• b: 7.178 ± 0.004 Å
• c: 16.465 ± 0.01 Å
• α: 90°
• β: 106.473 ± 0.007°
• γ: 90°
• Cell volume: 1620.9 ± 1.7 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No