Information card for entry 2241994

Structure parameters

• Chemical name: trichloro(3,3'-di-<i>t</i>-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-\ biphenyl-2-ol)(tetrahydrofuran)titanium(IV)
• Formula: C28 H41 Cl3 O3 Ti
• Calculated formula: C28 H41 Cl3 O3 Ti
• Title of publication: Crystal structure of a rare trigonal bipyramidal titanium(IV) coordination complex: trichlorido(3,3'-di-<i>tert</i>-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-biphenyl-2-olato-κ<i>O</i>^2^)(tetrahydrofuran-κ<i>O</i>)titanium(IV)
• Authors of publication: Kim, Yun Young; Tanski, Joseph M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 88 - 91
• a: 10.289 ± 0.004 Å
• b: 7.141 ± 0.003 Å
• c: 40.33 ± 0.016 Å
• α: 90°
• β: 95.164 ± 0.007°
• γ: 90°
• Cell volume: 2951 ± 2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes