Information card for entry 2212589

Structure parameters

• Chemical name: μ-2,2'-Biphenolato-κ^2^O:O'-μ-oxido-κ^2^O:O- bis[bis(hexafluoroacetylacetonato-κ^2^O,O')titanium(IV)]
• Formula: C32 H12 F24 O11 Ti2
• Calculated formula: C32 H12 F24 O11 Ti2
• SMILES: C(C1=CC(=[O][Ti]23(O[Ti]45(Oc6ccccc6c6c(O2)cccc6)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O4)OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)O1)C(F)(F)F)(F)(F)F
• Title of publication: μ-2,2'-Biphenolato-κ^2^<i>O</i>:<i>O</i>'-μ-oxido-κ^2^<i>O</i>:<i>O</i>-bis[bis(hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')titanium(IV)]
• Authors of publication: Kuhn, Annemarie; Muller, Alfred; Conradie, Jeanet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m664 - m666
• a: 20.742 ± 0.002 Å
• b: 8.5997 ± 0.0012 Å
• c: 23.463 ± 0.003 Å
• α: 90°
• β: 108.969 ± 0.004°
• γ: 90°
• Cell volume: 3957.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes