Information card for entry 7251797

Structure parameters

• Formula: C48 H48 N8 O16 Ti4
• Calculated formula: C48 H48 N8 O16 Ti4
• Title of publication: A Family of 2,8-Quinolinediol-Functionalized Titanium-Oxo Clusters with Tunable Photoelectric Properties
• Authors of publication: Wang, Qi; Li, Haoran; Jin, Xinuo; Gao, Wendi; Peng, Hui; Cai, Yuqing; Zi, Wenwen; Yin, Wenyu; Hou, Jinle; Sun, Di
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 12.1789 ± 0.0009 Å
• b: 34.017 ± 0.002 Å
• c: 13.7034 ± 0.0009 Å
• α: 90°
• β: 106.976 ± 0.003°
• γ: 90°
• Cell volume: 5429.8 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0811
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No