Information card for entry 4327252

Structure parameters

• Formula: C24 H38 O2 Ti
• Calculated formula: C24 H38 O2 Ti
• SMILES: [Ti]123456789(OO1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C(C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C(C)C
• 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: 8.2593 ± 0.0004 Å
• b: 15.3005 ± 0.0007 Å
• c: 17.838 ± 0.0009 Å
• α: 90°
• β: 100.998 ± 0.001°
• γ: 90°
• Cell volume: 2212.81 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0815
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No