Information card for entry 7033877

Structure parameters

• Formula: C20 H4 Cl2 F24 O9 Ti2
• Calculated formula: C20 H4 Cl2 F24 O9 Ti2
• SMILES: C(C1=CC(C(F)(F)F)=[O][Ti]2(Cl)(O1)([O]=C(C=C(C(F)(F)F)O2)C(F)(F)F)O[Ti]12(Cl)([O]=C(C=C(C(F)(F)F)O1)C(F)(F)F)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(F)(F)F
• Title of publication: Observed hydrolysis of fluorine substituted bis(β-diketonato)-dichlorotitanium(iv) complexes.
• Authors of publication: Kuhn, A.; Conradie, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 11
• Pages of publication: 5106 - 5113
• a: 23.1255 ± 0.0004 Å
• b: 23.1255 ± 0.0004 Å
• c: 12.3948 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6628.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No