Information card for entry 4075285

Structure parameters

• Formula: C20 H24 Cl3 N Ti
• Calculated formula: C20 H24 Cl3 N Ti
• SMILES: [Ti]12345(Cl)(Cl)N(c6c(cc(Cl)cc6)[c]61[c]2([cH]3[c]4([c]56C)C)C)C1CCCCC1
• Title of publication: o-Phenylene-Bridged Cp/Amido Titanium Complexes for Ethylene/1-Hexene Copolymerizations
• Authors of publication: Cho, Dae Joon; Wu, Chun Ji; S, Sujith; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2133 - 2134
• a: 8.3533 ± 0.001 Å
• b: 11.2763 ± 0.0013 Å
• c: 11.9066 ± 0.0014 Å
• α: 99.884 ± 0.002°
• β: 98.641 ± 0.002°
• γ: 106.94 ± 0.002°
• Cell volume: 1032.8 ± 0.2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No