Information card for entry 1517140

Structure parameters

• Formula: C48 H52 N2 O4 Ti
• Calculated formula: C48 H52 N2 O4 Ti
• SMILES: c12c(C(C)(C)C)cccc1C=[N]1c3ccc4ccccc4c3c3c4ccccc4ccc3[N]3=Cc4cccc(C(C)(C)C)c4O[Ti]13(O2)(OC(C)C)OC(C)C
• Title of publication: Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands
• Authors of publication: Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 402
• Pages of publication: 140 - 155
• a: 18.434 ± 0.003 Å
• b: 18.468 ± 0.003 Å
• c: 24.873 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8468 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No