Information card for entry 7006038

Structure parameters

• Formula: C75 H83 N2 O6 Ti2
• Calculated formula: C75 H83 N2 O6 Ti2
• 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: 10.134 ± 0.0002 Å
• b: 13.394 ± 0.0002 Å
• c: 13.767 ± 0.0003 Å
• α: 66.742 ± 0.001°
• β: 70.895 ± 0.001°
• γ: 80.504 ± 0.001°
• Cell volume: 1620.87 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No