Information card for entry 7711104

Structure parameters

• Formula: C114 H188 N2 O6 Ti2
• Calculated formula: C114 H188 N2 O6 Ti2
• 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: 19.488 ± 0.004 Å
• b: 23.772 ± 0.005 Å
• c: 25.128 ± 0.005 Å
• α: 90°
• β: 107.21 ± 0.03°
• γ: 90°
• Cell volume: 11120 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1174
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No