Information card for entry 4312628

Structure parameters

• Formula: C64 H84 F3 N3 O6 S Ti
• Calculated formula: C64.6 H76 F3 N3 O6 S Ti
• Title of publication: Reactivity at the β-Diketiminate Ligand Nacnac- on Titanium(IV) (Nacnac- = [Ar]NC(CH3)CHC(CH3)N[Ar], Ar = 2,6-[CH(CH3)2]2C6H3). Diimine-alkoxo and Bis-anilido Ligands Stemming from the Nacnac- Skeleton
• Authors of publication: Falguni Basuli; John C. Huffman; Daniel J. Mindiola
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8003 - 8010
• a: 12.455 ± 0.003 Å
• b: 14.406 ± 0.004 Å
• c: 18.099 ± 0.005 Å
• α: 81.171 ± 0.007°
• β: 72.595 ± 0.007°
• γ: 81.697 ± 0.007°
• Cell volume: 3045.3 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0885
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No