Information card for entry 7034069

Structure parameters

• Common name: [(Ar[t-Bu]N)3Ti]2(4,4'-bpy)
• Formula: C101 H144 N8 Ti2
• Calculated formula: C101 H144 N8 Ti2
• 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: 11.7441 ± 0.001 Å
• b: 14.5289 ± 0.0012 Å
• c: 15.3188 ± 0.0013 Å
• α: 80.14 ± 0.001°
• β: 69.854 ± 0.001°
• γ: 71.352 ± 0.001°
• Cell volume: 2319.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No