Information card for entry 7711103

Structure parameters

• Formula: C53 H79 N O5 Ti
• Calculated formula: C53 H79 N O5 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: 29.2227 ± 0.0004 Å
• b: 15.9396 ± 0.0003 Å
• c: 23.447 ± 0.0003 Å
• α: 90°
• β: 111.567 ± 0.0011°
• γ: 90°
• Cell volume: 10156.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No