Information card for entry 1544218

Structure parameters

• Chemical name: {6,6'-Dimethyl-2,2'-bis[(2-oxidobenzylidene)amino]-1,1'-biphenyl-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis(propan-2-olato-κ<i>O</i>)titanium(IV) <i>n</i>-hexane hemisolvate
• Formula: C37 H43 N2 O4 Ti
• Calculated formula: C37 H43 N2 O4 Ti
• Title of publication: {6,6'-Dimethyl-2,2'-bis[(2-oxidobenzylidene)amino]-1,1'-biphenyl-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis(propan-2-olato-κ<i>O</i>)titanium(IV) <i>n</i>-hexane hemisolvate
• Authors of publication: Chen, Liang; Deng, Xuebin
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 9
• Pages of publication: x161482
• a: 9.4212 ± 0.0017 Å
• b: 12.062 ± 0.002 Å
• c: 16.116 ± 0.003 Å
• α: 107.369 ± 0.003°
• β: 95.857 ± 0.003°
• γ: 107.938 ± 0.004°
• Cell volume: 1624.5 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes