Information card for entry 4343583

Structure parameters

• Formula: C30 H23 F6 N3 O6 Ti
• Calculated formula: C30 H23 F6 N3 O6 Ti
• Title of publication: Heptacoordinate Heteroleptic Salan (ONNO) and Thiosalan (OSSO) Titanium(IV) Complexes: Investigation of Stability and Cytotoxicity.
• Authors of publication: Grützke, Martin; Zhao, Tiankun; Immel, Timo A.; Huhn, Thomas
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6697 - 6706
• a: 10.089 ± 0.005 Å
• b: 11.52 ± 0.004 Å
• c: 15.144 ± 0.005 Å
• α: 93.389 ± 0.013°
• β: 108.212 ± 0.005°
• γ: 115.89 ± 0.03°
• Cell volume: 1464.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.565
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No