Information card for entry 4074380

Structure parameters

• Formula: C19 H23 Cl4 N O0 Ti
• Calculated formula: C19 H23 Cl4 N Ti
• SMILES: [Ti]1234(Cl)(Cl)(Cl)[c]5([c]4([cH]3[c]2([c]15C)C)C)c1c(/N=C(Cl)/C(C)(C)C)cccc1
• Title of publication: Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization
• Authors of publication: Joung, Ui Gab; Wu, Chun Ji; Lee, Sang Hoon; Lee, Choong Hoon; Lee, Eun Jung; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 5122
• a: 7.0671 ± 0.0017 Å
• b: 18.778 ± 0.005 Å
• c: 16.371 ± 0.004 Å
• α: 90°
• β: 95.393 ± 0.005°
• γ: 90°
• Cell volume: 2162.9 ± 0.9 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1951
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No