Information card for entry 7711105

Structure parameters

• Formula: C49 H76 N O4 Ti
• Calculated formula: C49 H76 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: 21.251 ± 0.004 Å
• b: 18.683 ± 0.004 Å
• c: 12.23 ± 0.002 Å
• α: 90°
• β: 108.06 ± 0.03°
• γ: 90°
• Cell volume: 4616.5 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No