Information card for entry 4074382

Structure parameters

• Formula: C18 H19 Cl2 F2 N O Ti
• Calculated formula: C18 H19 Cl2 F2 N O Ti
• SMILES: [Ti]12345(Cl)(Cl)OC(=Nc6c(cc(F)cc6F)[c]62[c]4([cH]5[cH]1[c]36C)C)C(C)(C)C
• 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: 9.538 ± 0.005 Å
• b: 13.643 ± 0.003 Å
• c: 15.072 ± 0.013 Å
• α: 90 ± 0.001°
• β: 106.012 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 1885.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No