Information card for entry 7034071

Structure parameters

• Common name: [Ti(N[t-Bu]Ar)3(thf)][B(C6F5)4]
• Formula: C68 H72 B F20 N3 O2 Ti
• Calculated formula: C68 H72 B F20 N3 O2 Ti
• Title of publication: The titanium tris-anilide cation [Ti(N[(t)Bu]Ar)3](+) stabilized as its perfluoro-tetra-phenylborate salt: structural characterization and synthesis in connection with redox activity of 4,4'-bipyridine dititanium complexes.
• Authors of publication: Spinney, Heather A.; Clough, Christopher R.; Cummins, Christopher C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6784 - 6796
• a: 13.3 ± 0.0011 Å
• b: 13.593 ± 0.0011 Å
• c: 19.2817 ± 0.0015 Å
• α: 107.974 ± 0.001°
• β: 95.319 ± 0.001°
• γ: 95.813 ± 0.002°
• Cell volume: 3270.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No