Information card for entry 7709489

Structure parameters

• Formula: C56 H96 N4 O48 Ti17
• Calculated formula: C56 H95.5 N4 O48 Ti17
• 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: 14.1453 ± 0.0018 Å
• b: 25.9558 ± 0.0014 Å
• c: 14.178 ± 0.002 Å
• α: 90°
• β: 112.466 ± 0.015°
• γ: 90°
• Cell volume: 4810.4 ± 1.1 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.287
• Weighted residual factors for all reflections included in the refinement: 0.3121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No