Information card for entry 1573747

Structure parameters

• Formula: C200 H221.72 Na O36 S20 Ti8
• Calculated formula: C200 H221.819 Na O36 S20 Ti8
• Title of publication: Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction
• Authors of publication: Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 6845 - 6852
• a: 33.1669 ± 0.0003 Å
• b: 21.7916 ± 0.0002 Å
• c: 35.921 ± 0.0006 Å
• α: 90°
• β: 91.759 ± 0.001°
• γ: 90°
• Cell volume: 25950 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1465
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.291
• Weighted residual factors for all reflections included in the refinement: 0.3272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No