Information card for entry 7711303

Structure parameters

• Formula: C130 H151 N25 O52 Ti12
• Calculated formula: C130 H151 N25 O52 Ti12
• Title of publication: New Picolinate-Functionalized Titanium-Oxide Clusters: Syntheses, Structure and Photocatalytic H2 Evolution
• Authors of publication: Gao, Chang; Wang, Dexin; Liu, Yanshu; Zhang, Guanyun; Liu, Caiyun; Said, Amir; Niu, Huihui; Tung, Chen-Ho; Wang, Yifeng
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 17.8911 ± 0.0004 Å
• b: 14.9531 ± 0.0004 Å
• c: 28.9581 ± 0.0006 Å
• α: 90°
• β: 98.617 ± 0.002°
• γ: 90°
• Cell volume: 7659.6 ± 0.3 ų
• Cell temperature: 172.99 K
• Ambient diffraction temperature: 172.99 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No