Information card for entry 1517142

Structure parameters

• Formula: C69 H65 N3 O8 Ti2
• Calculated formula: C69 H65 N3 O8 Ti2
• SMILES: c12cccc(C)c1c1c(C)cccc1[N]1=Cc3ccccc3O[Ti]341([N](=Cc1c(cccc1)O3)c1cccc(C)c1c1c(C)cccc1O4)O2.c12ccccc1C=[N]1c3cccc(C)c3c3c(C)cccc3O[Ti]1(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: 12.96 ± 0.0012 Å
• b: 12.0807 ± 0.001 Å
• c: 19.156 ± 0.0016 Å
• α: 90°
• β: 91.357 ± 0.002°
• γ: 90°
• Cell volume: 2998.3 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No