Information card for entry 4082247

Structure parameters

• Formula: C20 H25 Cl2 N Ti
• Calculated formula: C20 H25 Cl2 N Ti
• SMILES: [Ti]12345(N(c6c([c]71[c]2([c]3([cH]4[c]57C)C)C)cccc6)C1CCCCC1)(Cl)Cl
• 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: 8.773 ± 0.0018 Å
• b: 13.301 ± 0.003 Å
• c: 17.47 ± 0.004 Å
• α: 82.526 ± 0.004°
• β: 82.582 ± 0.004°
• γ: 87.424 ± 0.004°
• Cell volume: 2003.5 ± 0.8 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: 0.0433
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4075284
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No