Information card for entry 1571291

Structure parameters

• Formula: C94 H110 N2 Na2 O12 S8 Zr2
• Calculated formula: C94 H110 N2 Na2 O12 S8 Zr2
• Title of publication: Ag¹⁺ incorporation <i>via</i> a Zr⁴⁺-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO₂RR-to-CO activity.
• Authors of publication: Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 7643 - 7650
• a: 15.2188 ± 0.0005 Å
• b: 19.6877 ± 0.0007 Å
• c: 20.5242 ± 0.0006 Å
• α: 65.104 ± 0.003°
• β: 85.72 ± 0.003°
• γ: 69.053 ± 0.003°
• Cell volume: 5188.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0633
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No