Information card for entry 7131109

Structure parameters

• Formula: C298 H396 Ag49 Mo16 N2 O78 S42
• Calculated formula: C298 H396 Ag49 Mo16 N2 O78 S42
• Title of publication: Polymolybdate-guided assembly of a thiacalix[4]arene-protected Ag nanocluster for electrocatalytic CO₂ reduction.
• Authors of publication: Li, Shang-Qian; Dai, Lin-Fang; Tian, Yi-Qi; Yi, Yi-Xiao; Yan, Jun; Liu, Chao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 5
• Pages of publication: 575 - 578
• a: 26.048 ± 0.003 Å
• b: 27.8 ± 0.003 Å
• c: 35.912 ± 0.004 Å
• α: 82.533 ± 0.005°
• β: 83.882 ± 0.006°
• γ: 76.42 ± 0.005°
• Cell volume: 24986 ± 5 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: 0.1812
• Residual factor for significantly intense reflections: 0.1339
• Weighted residual factors for significantly intense reflections: 0.3417
• Weighted residual factors for all reflections included in the refinement: 0.3799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No