Information card for entry 4306430

Structure parameters

• Common name: [Ti(OPri)3Cl]2
• Formula: C18 H42 Cl2 O6 Ti2
• Calculated formula: C18 H42 Cl2 O6 Ti2
• SMILES: C(C)(C)O[Ti]1([O](C(C)C)[Ti](OC(C)C)([O]1C(C)C)(OC(C)C)Cl)(OC(C)C)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: 11.4911 ± 0.0012 Å
• b: 11.4911 ± 0.0012 Å
• c: 21.426 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2829.2 ± 0.7 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No