Information card for entry 4088623

Structure parameters

• Formula: C11 H7 Cl5 O Ti
• Calculated formula: C11 H7 Cl5 O Ti
• SMILES: [cH]12[cH]3[Ti]451(Oc1c(cc(Cl)cc1Cl)Cl)(Cl)([cH]2[cH]5[cH]34)Cl
• 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: 13.01 ± 0.005 Å
• b: 12.359 ± 0.005 Å
• c: 8.615 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1385.2 ± 0.9 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No