Information card for entry 1556319

Structure parameters

• Formula: C48 H38 Cl2 N2 O Ti
• Calculated formula: C48 H38 Cl2 N2 O Ti
• SMILES: [Ti]123456([n]7c(ccc8c7c(O1)ccc8)C=[N]2c1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C)(Cl)(Cl)[cH]1[cH]4[cH]6[cH]5[cH]31
• Title of publication: Synthesis, characterization, and the ethylene (co-)polymerization behaviour of half-titanocene dichloride 2-aryliminoquinolin-8-olates
• Authors of publication: Huang, Wei; Zhang, Wenjuan; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 2090
• a: 17.529 ± 0.004 Å
• b: 18.752 ± 0.004 Å
• c: 25.656 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8433 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.2817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No