Information card for entry 4070484

Structure parameters

• Formula: C25 H34 Cl2 O S Si Ti
• Calculated formula: C25 H34 Cl2 O S Si Ti
• SMILES: [Ti]12345(Cl)(Cl)Oc6c([Si]([c]71[c]2([c]3([c]14[c]57SC(=C1)C)C)C)(CC)CC)cc(cc6C(C)(C)C)C
• Title of publication: Titanium Complexes of Silicon-Bridged Cyclopentadienyl−Phenoxy Ligands Modified with Fused-Thiophene: Synthesis, Characterization, and Their Catalytic Performance in Copolymerization of Ethylene and 1-Hexene
• Authors of publication: Senda, Taichi; Hanaoka, Hidenori; Okado, Yoshiya; Oda, Yoshiaki; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 6915
• a: 25.312 ± 0.012 Å
• b: 9.502 ± 0.005 Å
• c: 10.942 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2632 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No