Information card for entry 1573744

Structure parameters

• Formula: C312 H372 N36 O42 S24 Ti12
• Calculated formula: C240 H264 O42 S24 Ti12
• 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: 20.926 ± 0.005 Å
• b: 20.984 ± 0.005 Å
• c: 21.932 ± 0.005 Å
• α: 64.82 ± 0.009°
• β: 76.693 ± 0.01°
• γ: 77.002 ± 0.009°
• Cell volume: 8393 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1608
• Residual factor for significantly intense reflections: 0.1376
• Weighted residual factors for significantly intense reflections: 0.3421
• Weighted residual factors for all reflections included in the refinement: 0.3582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No