Information card for entry 1565591

Structure parameters

• Formula: C16 H20 Cl4 O2 Si2 Ti2
• Calculated formula: C16 H20 Cl4 O2 Si2 Ti2
• Title of publication: Cyclopentadienyl-silsesquioxane titanium compounds as suitable candidates for immobilization on silica-based supports
• Authors of publication: Mateos, María; Vinueza, Joan; Mosquera, Marta E.G.; Tabernero, Vanessa; Cuenca, Tomás; Jiménez, Gerardo
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 501
• Pages of publication: 119275
• a: 7.261 ± 0.002 Å
• b: 10.156 ± 0.003 Å
• c: 15.48 ± 0.01 Å
• α: 90°
• β: 91.06 ± 0.04°
• γ: 90°
• Cell volume: 1141.3 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2245
• Weighted residual factors for all reflections included in the refinement: 0.2363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No