Information card for entry 7251448

Structure parameters

• Formula: C208 H258 Ag6 N16 O28 S16 Ti6
• Calculated formula: C176 H210 Ag6 O28 S16 Ti6
• Title of publication: Anchored Ag+ sites on a thiacalix[4]arene-stabilized Ti-oxo cluster enable efficient CO2-to-CO electroreduction
• Authors of publication: Han, Qian; Wang, Xiao-Wei; Zhu, Hong-Yan; Li, Lan-Yan; Yu, Wei-Dong; Liu, Chao
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 806 - 811
• a: 21.765 ± 0.0003 Å
• b: 21.8911 ± 0.0003 Å
• c: 26.7368 ± 0.0002 Å
• α: 70.548 ± 0.001°
• β: 77.185 ± 0.001°
• γ: 87.923 ± 0.001°
• Cell volume: 11702.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No