Information card for entry 7711107

Structure parameters

• Formula: C208 H295 K3 N4 O26 Ti4
• Calculated formula: C208 H295 K3 N4 O26 Ti4
• 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: 19.351 ± 0.004 Å
• b: 22.616 ± 0.005 Å
• c: 30.581 ± 0.006 Å
• α: 69.99 ± 0.03°
• β: 88.96 ± 0.03°
• γ: 66.13 ± 0.03°
• Cell volume: 11387 ± 6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No