Information card for entry 2238875

Structure parameters

• Chemical name: Bis(μ-2-hydroxymethyl-2-methylpropane-1,3-diolato)bis[dichloridotitanium(IV)] diethyl ether disolvate
• Formula: C18 H40 Cl4 O8 Ti2
• Calculated formula: C18 H40 Cl4 O8 Ti2
• SMILES: C1C2(CO[Ti]34([O]1[Ti]1([OH]C2)([O]3CC(CO1)(C[OH]4)C)(Cl)Cl)(Cl)Cl)C.O(CC)CC.CCOCC
• Title of publication: Bis(μ-2-hydroxymethyl-2-methylpropane-1,3-diolato)bis[dichloridotitanium(IV)] diethyl ether disolvate
• 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: 12
• Pages of publication: m676 - m677
• a: 7.9617 ± 0.0003 Å
• b: 9.6379 ± 0.0004 Å
• c: 10.5783 ± 0.0005 Å
• α: 71.351 ± 0.001°
• β: 82.023 ± 0.001°
• γ: 66.757 ± 0.001°
• Cell volume: 706.6 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0249
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No