Information card for entry 4306435

Structure parameters

• Common name: (OPy)Ti(OPri)Cl2(py)
• Formula: C14 H18 Cl2 N2 O2 Ti
• Calculated formula: C14 H18 Cl2 N2 O2 Ti
• SMILES: [Ti]1([n]2ccccc2CO1)([n]1ccccc1)(OC(C)C)(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: 6.789 ± 0.007 Å
• b: 15.487 ± 0.019 Å
• c: 16.029 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1685 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No