Information card for entry 7006040

Structure parameters

• Formula: C30 H42 F10 O6 Ti2
• Calculated formula: C30 H42 F10 O6 Ti2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[Ti]1(OC(C)C)(OC(C)C)[O](C(C)C)[Ti](c2c(c(c(c(c2F)F)F)F)F)([O]1C(C)C)(OC(C)C)OC(C)C
• 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: 8.898 ± 0.0003 Å
• b: 16.817 ± 0.0005 Å
• c: 12.048 ± 0.0005 Å
• α: 90°
• β: 96.538 ± 0.001°
• γ: 90°
• Cell volume: 1791.11 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0866
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.1035
• 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