Information card for entry 2237594

Structure parameters

• Chemical name: Bis{2,2'-[methylazanediylbis(methylene)]bis(4,6-dimethylphenolato)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}titanium(IV) toluene sesquisolvate
• Formula: C48.5 H58 N2 O4 Ti
• Calculated formula: C48.5 H57.5 N2 O4 Ti
• Title of publication: Bis{2,2'-[methylazanediylbis(methylene)]bis(4,6-dimethylphenolato)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}titanium(IV) toluene sesquisolvate
• Authors of publication: Chung, Yongseog; Kim, Youngjo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m222
• a: 12.053 ± 0.002 Å
• b: 13.374 ± 0.003 Å
• c: 14.511 ± 0.003 Å
• α: 102.02 ± 0.03°
• β: 112.07 ± 0.03°
• γ: 93.04 ± 0.03°
• Cell volume: 2097.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0959
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes