Information card for entry 4327253

Structure parameters

• Formula: C48 H84 O6 Si4 Ti4
• Calculated formula: C48 H84 O6 Si4 Ti4
• Title of publication: Dihydrogen and Silane Addition to Base-Free, Monomeric Bis(cyclopentadienyl)titanium Oxides
• Authors of publication: Tamara E. Hanna; Emil Lobkovsky; Paul J. Chirik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2359 - 2361
• a: 13.0247 ± 0.0009 Å
• b: 20.0354 ± 0.0013 Å
• c: 21.3948 ± 0.0013 Å
• α: 90°
• β: 95.895 ± 0.003°
• γ: 90°
• Cell volume: 5553.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No