Information card for entry 1556283

Structure parameters

• Formula: C27 H28 Cl2 N2 O Ti
• Calculated formula: C27 H28 Cl2 N2 O Ti
• SMILES: c12c3[n]4c(ccc3ccc2)C(=[N](c2c(cc(cc2CC)C)CC)[Ti]23564(O1)([cH]1[cH]2[cH]3[cH]6[cH]51)(Cl)Cl)C
• 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: 17.098 ± 0.003 Å
• b: 8.1446 ± 0.0016 Å
• c: 17.624 ± 0.004 Å
• α: 90°
• β: 98.7 ± 0.03°
• γ: 90°
• Cell volume: 2426 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0771
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No