Information card for entry 7034073

Structure parameters

• Common name: (Ar[t-Bu]N)3Ti(O-n-Bu)
• Formula: C40 H63 N3 O Ti
• Calculated formula: C40.008 H63.018 N3 O Ti0.33
• 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: 19.7299 ± 0.0009 Å
• b: 19.7299 ± 0.0009 Å
• c: 19.7299 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7680.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No