Information card for entry 4073829

Structure parameters

• Formula: C17 H21 Cl2 N O Ti
• Calculated formula: C17 H21 Cl2 N O Ti
• SMILES: [Ti]1234(Cl)(Cl)(Oc5c(cccc5/C=N/C(C)(C)C)C)[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: Synthesis of Half-Titanocenes Containing Phenoxy-imine Ligands and Their Use as Catalysts for Olefin Polymerization
• Authors of publication: Zhang, Hao; Katao, Shohei; Nomura, Kotohiro; Huang, Jiling
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5967
• a: 13.556 ± 0.006 Å
• b: 7.224 ± 0.003 Å
• c: 18.814 ± 0.007 Å
• α: 90°
• β: 102.982 ± 0.018°
• γ: 90°
• Cell volume: 1795.3 ± 1.3 ų
• Cell temperature: 243.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No