Information card for entry 7006037

Structure parameters

• Formula: C34 H42 B N O3 Ti
• Calculated formula: C34.5 H34 B N O3 Ti
• Title of publication: Reactivity of boranes with a titanium(IV) amine tris(phenolate) alkoxide complex; formation of a Ti(IV) tetrahydroborate complex, a Ti(III) dimer and a Ti(IV) hydroxide Lewis acid adduct.
• Authors of publication: Johnson, Andrew L.; Davidson, Matthew G.; Mahon, Mary F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 5405 - 5411
• a: 14.158 ± 0.0002 Å
• b: 14.158 ± 0.0002 Å
• c: 26.393 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4581.66 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No