Information card for entry 7005543

Structure parameters

• Formula: C90.79 H72.79 Cl2.36 N2 O7 Ti2
• Calculated formula: C90.788 H72.7874 Cl2.364 N2 O7 Ti2
• Title of publication: Stereoselective dimerization of racemic C3-symmetric Ti(IV) amine triphenolate complexes.
• Authors of publication: Bernardinelli, Gérald; Seidel, Thomas M.; Kündig, E Peter; Prins, Leonard J.; Kolarovic, Andrej; Mba, Miriam; Pontini, Marta; Licini, Giulia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 16
• Pages of publication: 1573 - 1576
• a: 13.2828 ± 0.0008 Å
• b: 15.6644 ± 0.0007 Å
• c: 18.5844 ± 0.0012 Å
• α: 90°
• β: 105.269 ± 0.007°
• γ: 90°
• Cell volume: 3730.3 ± 0.4 ų
• Cell temperature: 200 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 significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No