Information card for entry 7113818

Structure parameters

• Chemical name: Bis(N-tButyl(perfluorophenyl)amidate)titanium-bis(diethylamide)
• Formula: C30 H38 F10 N4 O2 Ti
• Calculated formula: C30 H38 F10 N4 O2 Ti
• Title of publication: Amidate complexes of titanium and zirconium: a new class of tunable precatalysts for the hydroamination of alkynes
• Authors of publication: Li, Chunyu; Thomson, Robert K.; Gillon, Bronwyn; Patrick, Brian O.; Schafer, Laurel L.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 2462 - 2463
• a: 10.5104 ± 0.001 Å
• b: 20.1035 ± 0.0018 Å
• c: 15.8198 ± 0.0014 Å
• α: 90°
• β: 90.99 ± 0.004°
• γ: 90°
• Cell volume: 3342.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1398
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.259
• Weighted residual factors for all reflections included in the refinement: 0.2757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104811
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No