Information card for entry 4324093

Structure parameters

• Common name: [(N2N2)Ti=N(p-tol)]2
• Formula: C50 H78 N10 O4 Ti2
• Calculated formula: C50 H78 N10 O4 Ti2
• Title of publication: Steric and Electronic Consequences of Flexibility in a Tetradentate Redox-Active Ligand: Ti(IV) and Zr(IV) Complexes
• Authors of publication: Géza Szigethy; Alan F. Heyduk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 125 - 135
• a: 11.1838 ± 0.0006 Å
• b: 10.1818 ± 0.0006 Å
• c: 22.1409 ± 0.0012 Å
• α: 90°
• β: 94.552 ± 0.001°
• γ: 90°
• Cell volume: 2513.3 ± 0.2 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No