Information card for entry 4328239

Structure parameters

• Formula: C29 H24 Cl2 N2 O4 Ti
• Calculated formula: C29 H24 Cl2 N2 O4 Ti
• SMILES: c12ccc(cc1C=[N]1c3ccccc3[N]3=Cc4cc(ccc4O[Ti]413(O2)Oc1ccccc1O4)C)C.C(Cl)Cl
• 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: 8.877 ± 0.003 Å
• b: 9.769 ± 0.003 Å
• c: 16.796 ± 0.005 Å
• α: 93.968 ± 0.005°
• β: 104.301 ± 0.005°
• γ: 109.979 ± 0.005°
• Cell volume: 1307.5 ± 0.7 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.054
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No