Information card for entry 4115805

Structure parameters

• Common name: Hexabiphenol-tetraoxo-hexatitanium ladder
• Chemical name: bis((μ2-2,2'-biphenolato(O,O'))-(μ2-isopropoxy)-isopropoxy-isopropanol- bis(μ3-oxo)-bis(μ2-2,2'-biphenolato(O,O,O'))-trititanium) chloroform solvate
• Formula: C92 H92 Cl6 O22 Ti6
• Calculated formula: C92 H90 Cl6 O22 Ti6
• Title of publication: Synthesis and Molecular Structures of Some New Titanium(IV) Aryloxides
• Authors of publication: Karine Gigant; Adel Rammal; Marc Henry
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11632 - 11637
• a: 13.956 ± 0.0004 Å
• b: 20.738 ± 0.0007 Å
• c: 16.133 ± 0.0005 Å
• α: 90°
• β: 97.639 ± 0.003°
• γ: 90°
• Cell volume: 4627.8 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.108
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections: 1.89
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No