Information card for entry 7709487

Structure parameters

• Formula: C90 H152 N10 O46 Ti14
• Calculated formula: C90 H152 N10 O46 Ti14
• Title of publication: Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate
• Authors of publication: Gao, Chang; Liu, Caiyun; Said, Amir; Niu, Huihui; Wang, Dexin; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.4181 ± 0.0002 Å
• b: 16.6427 ± 0.0002 Å
• c: 20.1511 ± 0.0004 Å
• α: 90°
• β: 107.688 ± 0.002°
• γ: 90°
• Cell volume: 6204.36 ± 0.17 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 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: 0.0899
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No