Information card for entry 4322775

Structure parameters

• Formula: C14 H20 Al F2 Ti
• Calculated formula: C14 H20 Al F2 Ti
• Title of publication: Formation of [Cp2Ti(μ2-F)2AlEt2]2 and [Cp(C5H4)Ti(μ2-H)AlEt2]2 in the Reaction of Cp2TiF2 with AlEt3. Structure of [Cp2Ti(μ2-F)2AlEt2]2
• Authors of publication: Peihua Yu; Mavis L. Montero; Craig E. Barnes; Herbert W. Roesky; Isabel Usón
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2595 - 2597
• a: 10.901 ± 0.002 Å
• b: 8.004 ± 0.002 Å
• c: 17.812 ± 0.004 Å
• α: 90°
• β: 106.1 ± 0.03°
• γ: 90°
• Cell volume: 1493.2 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.1186
• Weighted residual factors for significantly intense reflections: 0.1096
• Goodness-of-fit parameter for all reflections: 1.105
• Goodness-of-fit parameter for significantly intense reflections: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No