Information card for entry 4324341

Structure parameters

• Formula: C24 H32 Cl4 N2 O4 Ti
• Calculated formula: C24 H32 Cl4 N2 O4 Ti
• SMILES: c12c(cc(cc1C[N]1(CC[N]3(Cc4cc(cc(c4O[Ti]13(O2)(OC(C)C)OC(C)C)Cl)Cl)C)C)Cl)Cl
• Title of publication: Different ortho and para Electronic Effects on Hydrolysis and Cytotoxicity of Diamino Bis(Phenolato) "Salan" Ti(IV) Complexes
• Authors of publication: Dani Peri; Sigalit Meker; Cesar M. Manna; Edit Y. Tshuva
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1030 - 1038
• a: 8.8097 ± 0.0005 Å
• b: 12.7717 ± 0.0008 Å
• c: 25.1973 ± 0.0015 Å
• α: 90°
• β: 97.547 ± 0.001°
• γ: 90°
• Cell volume: 2810.5 ± 0.3 ų
• Cell temperature: 223 ± 1 K
• Ambient diffraction temperature: 223 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.312
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No