Information card for entry 1571983

Structure parameters

• Formula: C194 H170 Au11 F18 N3 O16 P6 S6
• Calculated formula: C178 H130 Au11 F18 N3 O12 P6 S6
• SMILES: C(F)(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F.FC(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F.[Au]12345[Au]6789[Au]%10([Au]%11%121([c]1%10[c]27c2c(c(c1)c1ccccc1)cccc2)[Au]123([Au]3([Au]749([Au]4([Au]6([c]68[c]74c4c(c(c6)c6ccccc6)cccc4)[P](c4ccccc4)(c4ccccc4)c4ccccc4)[P](c4ccccc4)(c4ccccc4)c4ccccc4)[c]43[c]51c1c(c(c4)c3ccccc3)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au]1([Au]%11([c]3%12[c]21cc(c1c3cccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F
• Title of publication: Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.
• Authors of publication: Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 11311 - 11320
• a: 29.4994 ± 0.0003 Å
• b: 19.4956 ± 0.0002 Å
• c: 33.2461 ± 0.0003 Å
• α: 90°
• β: 100.747 ± 0.001°
• γ: 90°
• Cell volume: 18784.8 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No