Information card for entry 4070485

Structure parameters

• Formula: C26 H32 Cl2 O S2 Si Ti
• Calculated formula: C26 H32 Cl2 O S2 Si Ti
• SMILES: [Ti]12345(Cl)(Cl)Oc6c([Si]([c]71[c]12[c]3([c]24[c]57SC(=C2)C)C=C(S1)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: 9.565 ± 0.002 Å
• b: 11.509 ± 0.003 Å
• c: 25.216 ± 0.006 Å
• α: 90°
• β: 97.289 ± 0.004°
• γ: 90°
• Cell volume: 2753.4 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No