Information card for entry 2238619

Structure parameters

• Chemical name: Di-μ-methanolato-bis[(2-<i>tert</i>-butyl-6-methylphenolato-κ<i>O</i>)methyltitanium(IV)]
• Formula: C48 H72 O6 Ti2
• Calculated formula: C48 H72 O6 Ti2
• SMILES: c1(c(cccc1C)C(C)(C)C)O[Ti]1([O](C)[Ti](Oc2c(cccc2C(C)(C)C)C)(Oc2c(cccc2C(C)(C)C)C)([O]1C)C)(Oc1c(cccc1C(C)(C)C)C)C
• Title of publication: Di-μ-methanolato-bis[(2-<i>tert</i>-butyl-6-methylphenolato-κ<i>O</i>)methyltitanium(IV)]
• Authors of publication: Nielson, Alastair J.; Shen, Chaohong; Waters, Joyce M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m554 - m555
• a: 15.127 ± 0.003 Å
• b: 11.067 ± 0.002 Å
• c: 15.821 ± 0.003 Å
• α: 90°
• β: 115.71 ± 0.03°
• γ: 90°
• Cell volume: 2386.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No