Information card for entry 1569793

Structure parameters

• Formula: C89 H109 Ag2 N3 O12 S8 Ti2
• Calculated formula: C89 H109 Ag2 N3 O12 S8 Ti2
• Title of publication: Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO₂ electroreduction.
• Authors of publication: Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 37
• Pages of publication: 10212 - 10218
• a: 22.9703 ± 0.0013 Å
• b: 15.9803 ± 0.001 Å
• c: 36.153 ± 0.003 Å
• α: 90°
• β: 95.01 ± 0.007°
• γ: 90°
• Cell volume: 13220.1 ± 1.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.1518
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No