Information card for entry 1567109

Structure parameters

• Formula: C14 H14 F6 N2 O6 S2
• Calculated formula: C14 H14 F6 N2 O6 S2
• 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: 6.8729 ± 0.0007 Å
• b: 8.3071 ± 0.0009 Å
• c: 8.8774 ± 0.0008 Å
• α: 77.25 ± 0.009°
• β: 88.991 ± 0.008°
• γ: 75.454 ± 0.009°
• Cell volume: 478.12 ± 0.09 ų
• Cell temperature: 172.97 ± 0.1 K
• Ambient diffraction temperature: 172.97 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No