Information card for entry 4306432

Structure parameters

• Common name: [Ti(OPri)2Cl2]2
• Formula: C12 H28 Cl4 O4 Ti2
• Calculated formula: C12 H28 Cl4 O4 Ti2
• SMILES: C(C)(C)[O]1[Ti](OC(C)C)([O](C(C)C)[Ti]1(OC(C)C)(Cl)Cl)(Cl)Cl
• Title of publication: Stepwise Modification of Titanium Alkoxy Chloride Compounds by Pyridine Carbinol
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez; Robin M. Sewell; Todd M. Alam; Sarah K. McIntyre
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10708 - 10717
• a: 8.812 ± 0.0011 Å
• b: 8.142 ± 0.001 Å
• c: 15.2413 ± 0.0018 Å
• α: 90°
• β: 91.241 ± 0.002°
• γ: 90°
• Cell volume: 1093.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0225
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No