Information card for entry 4067412

Structure parameters

• Formula: C30 H40 Cl2 O3 Si2 Ti2
• Calculated formula: C30 H40 Cl2 O3 Si2 Ti2
• SMILES: [Ti]123456789(O[Si]%10(O[Si](O[Ti]%11%12%13%14%15%16%17%18(Cl)([cH]%19[cH]%14[cH]%13[cH]%12[cH]%11%19)[c]%11%10[c]%15([c]%16([c]%17([c]%18%11C)C)C)C)([c]%105[c]9([c]8([c]7([c]6%10C)C)C)C)C)C)(Cl)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Dinuclear Dicyclopentadienyl Titanium Complexes with Bridging Cyclopentadienylsiloxo Ligands
• Authors of publication: Postigo, Lorena; Bellarosa, Luca; Sánchez-Nieves, Javier; Royo, Pascual; Lledós, Agustí; Mosquera, Marta E. G.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 642
• a: 12.537 ± 0.008 Å
• b: 15.206 ± 0.008 Å
• c: 16.338 ± 0.009 Å
• α: 90°
• β: 101.59 ± 0.05°
• γ: 90°
• Cell volume: 3051 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1407
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2215
• Weighted residual factors for all reflections included in the refinement: 0.2561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No