Information card for entry 7709491

Structure parameters

• Formula: C66 H86 N8 O56 Ti18
• Calculated formula: C66 H86 N8 O56 Ti18
• 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: 32.091 ± 0.0003 Å
• b: 32.091 ± 0.0003 Å
• c: 32.091 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33048.3 ± 0.6 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 211
• Hermann-Mauguin space group symbol: I 4 3 2
• Hall space group symbol: I 4 2 3
• Residual factor for all reflections: 0.1433
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2498
• Weighted residual factors for all reflections included in the refinement: 0.3016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No