Information card for entry 1556282

Structure parameters

• Formula: C26 H26 Cl2 N2 O Ti
• Calculated formula: C26 H26 Cl2 N2 O Ti
• SMILES: [Ti]123456(Cl)(Cl)([n]7c(ccc8c7c(O1)ccc8)C(=[N]2c1c(CC)cccc1CC)C)[cH]1[cH]4[cH]3[cH]5[cH]61
• Title of publication: Synthesis, characterization and ethylene (co-)polymerization behavior of half-titanocene 2-(1-(arylimino)ethyl)quinolin-8-olate chlorides
• Authors of publication: Huang, Wei; Li, Baixiang; Wang, Youhong; Zhang, Wenjuan; Wang, Lin; Li, Yuesheng; Sun, Wen-Hua; Redshaw, Carl
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 7
• Pages of publication: 1208
• a: 23.852 ± 0.005 Å
• b: 13.832 ± 0.003 Å
• c: 16.89 ± 0.003 Å
• α: 90°
• β: 118.68 ± 0.03°
• γ: 90°
• Cell volume: 4889 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No