Information card for entry 4328235

Structure parameters

• Formula: C44 H48 N2 O4 Ti
• Calculated formula: C44 H48 N2 O4 Ti
• Title of publication: Cytotoxicity and Hydrolysis of trans-Ti(IV) Complexes of Salen Ligands: Structure-Activity Relationship Studies
• Authors of publication: Avia Tzubery; Edit Y. Tshuva
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1796 - 1804
• a: 9.101 ± 0.004 Å
• b: 26.33 ± 0.01 Å
• c: 17.051 ± 0.007 Å
• α: 90°
• β: 101.481 ± 0.007°
• γ: 90°
• Cell volume: 4004 ± 3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• 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: 0.0998
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No