Information card for entry 2209481

Structure parameters

• Chemical name: (OC-6-22)-Bis{2-[1-(2-oxidoethylimino)ethyl]phenolato-κ^3^O,N,O'}titanium(IV)
• Formula: C20 H22 N2 O4 Ti
• Calculated formula: C20 H22 N2 O4 Ti
• SMILES: [Ti]1234(OCC[N]2=C(C)c2c(O1)cccc2)OCC[N]4=C(C)c1c(O3)cccc1
• Title of publication: (<i>OC</i>-6-22)-Bis{2-[1-(2-oxidoethylimino)ethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}titanium(IV)
• Authors of publication: Böhme, Uwe; Günther, Betty
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1711 - m1712
• a: 7.1006 ± 0.0002 Å
• b: 26.4054 ± 0.0007 Å
• c: 9.5367 ± 0.0002 Å
• α: 90°
• β: 99.118 ± 0.001°
• γ: 90°
• Cell volume: 1765.48 ± 0.08 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0274
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes