Information card for entry 4306431

Structure parameters

• Formula: C24 H40 Cl2 N2 O6 Ti2
• Calculated formula: C24 H40 Cl2 N2 O6 Ti2
• SMILES: c1cccc2C[O]3[Ti]([n]12)(OC(C)C)(OC(C)C)(Cl)[O]1Cc2cccc[n]2[Ti]31(OC(C)C)(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: 9.1033 ± 0.0011 Å
• b: 10.7909 ± 0.0013 Å
• c: 15.6068 ± 0.0018 Å
• α: 90°
• β: 102.43 ± 0.002°
• γ: 90°
• Cell volume: 1497.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No