Information card for entry 4069234

Structure parameters

• Formula: C20 H23 Br3 O Si Ti2
• Calculated formula: C20 H23 Br3 O Si Ti2
• SMILES: [Ti]12345(Br)(Br)O[Ti]6789%10%11%12%13(Br)([c]%14%15[cH]6[cH]7[cH]8[c]9%15[Si]([c]61[cH]2[cH]3[cH]4[c]56C%14(C)C)(C)C)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131
• Title of publication: Synthesis, Structures, and Polymerization Catalytic Properties of Doubly Bridged Bis(cyclopentadienyl) Dinuclear (μ-Oxo)titanium Complexes
• Authors of publication: Luo, Shuang; Shen, Bo; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 3109
• a: 15.424 ± 0.003 Å
• b: 14.16 ± 0.003 Å
• c: 20.899 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4564.4 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0789
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No