Information card for entry 1567113

Structure parameters

• Formula: C57 H53 Ag5 F9 N17 O9 S3
• Calculated formula: C57 H53 Ag5 F9 N17 O9 S3
• Title of publication: Pyridine dicarbanion-bonded Ag₁₃ organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.
• Authors of publication: Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 27
• Pages of publication: 8095 - 8103
• a: 25.7535 ± 0.0005 Å
• b: 24.5293 ± 0.0006 Å
• c: 24.9163 ± 0.0004 Å
• α: 90°
• β: 91.174 ± 0.002°
• γ: 90°
• Cell volume: 15736.7 ± 0.6 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No