Information card for entry 1569794

Structure parameters

• Formula: C441 H508 Ag16 N26 Na2 O109 S32 Ti16
• Calculated formula: C440.5 H508 Ag16 N26 Na2 O109 S32 Ti16
• 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: 22.273 ± 0.0015 Å
• b: 44.47 ± 0.003 Å
• c: 38.489 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 38123 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2203
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No