Information card for entry 7020847

Structure parameters

• Formula: C63 H110 Ag20 Cl F27 O23 S10
• Calculated formula: C44 Ag20 Cl F6 O4 S10
• SMILES: C(C)(C)(C)[S]123[Ag]4567[O]=C(O[Ag]8925[S]25(C(C)(C)C)[Ag]%10%1148[Ag]482[S]2%12([Ag]%13%14%15[S]%16%17([Ag]%18%19%20[S]%21%22(C(C)(C)C)[Ag]1%18([Ag]13[S]3%18([Ag]%23%24%25[S]%26%27(C(C)(C)C)[Ag]%28%17%20%23[Ag]%17%20%14%16[O]=C(O[Ag]%14%26%28%20[S]%16%17(C(C)(C)C)[Ag]%17%20([S]%23%26(C(C)(C)C)[Ag]%28%11%17[S]6%10([Ag]713[Ag]%18%24%23%28[Ag]%25%27%14%20%26)C(C)(C)C)[Ag]%12%15%16)C(F)(F)F)C(C)(C)C)[Ag]958%22[Ag]42%13%19%21)C(C)(C)C)C(C)(C)C)C(F)(F)F.[Cl-]
• Title of publication: Serendipitous anion-templated self-assembly of a sandwich-like Ag(20)S(10) macrocycle-based high-nuclearity luminescent nanocluster.
• Authors of publication: Zhou, Kun; Wang, Xin-Long; Qin, Chao; Wang, Hai-Ning; Yang, Guang-Sheng; Jiao, Yan-Qing; Huang, Peng; Shao, Kui-Zhan; Su, Zhong-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1352 - 1355
• a: 16.612 ± 0.003 Å
• b: 26.014 ± 0.004 Å
• c: 26.372 ± 0.004 Å
• α: 90°
• β: 91.58 ± 0.002°
• γ: 90°
• Cell volume: 11392 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1312
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No