Information card for entry 7711106

Structure parameters

• Formula: C55 H88 N O4 Ti
• Calculated formula: C55 H88 N O4 Ti
• Title of publication: Formate Complexes of Tri- and Tetravalent Titanium Supported by a Tris(phenolato)amine Ligand
• Authors of publication: Okuda, Jun; Okumura, Akira; Ghana, Priyabrata; Fink, Fabian; Schmidt, Regina; Hoffmann, Alexander; Spaniol, Thomas Paul; Herres-Pawlis, Sonja
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.476 ± 0.002 Å
• b: 14.476 ± 0.002 Å
• c: 25.385 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5319.5 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No