Information card for entry 4327254

Structure parameters

• Formula: C34 H46 O Si2 Ti
• Calculated formula: C34 H46 O Si2 Ti
• 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: 17.1305 ± 0.0013 Å
• b: 8.6746 ± 0.0009 Å
• c: 21.761 ± 0.002 Å
• α: 90°
• β: 104.178 ± 0.003°
• γ: 90°
• Cell volume: 3135.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No