Information card for entry 2214363

Structure parameters

• Chemical name: Bis(acetylacetonato-κ^2^O,O')[2,2'-methylenebis(4,6-xylenolato)-κ^2^O,O'] titanium(IV)
• Formula: C27 H32 O6 Ti
• Calculated formula: C27 H32 O6 Ti
• SMILES: [Ti]123(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)Oc1c(cc(cc1Cc1c(O3)c(cc(c1)C)C)C)C
• Title of publication: Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[2,2'-methylenebis(4,6-xylenolato)-κ^2^<i>O</i>,<i>O</i>']titanium(IV)
• Authors of publication: Balakrishna, Maravanji S.; Panda, Rashmishree; Mague, Joel T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1815 - m1815
• a: 8.3605 ± 0.0009 Å
• b: 9.3419 ± 0.0007 Å
• c: 17.652 ± 0.001 Å
• α: 92.472 ± 0.005°
• β: 95.599 ± 0.007°
• γ: 107.209 ± 0.007°
• Cell volume: 1306.91 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes