Information card for entry 4122325

Structure parameters

• Formula: C160 H176 Au8 N8 O8 S16
• Calculated formula: C160 H176 Au8 N8 O8 S16
• SMILES: [Au]12[Au]3[S]=C(S1)N(CCc1ccccc1)Cc1cc4c(OCCC)c(c1)Cc1c(OCCC)c5Cc6c(OCCC)c(Cc7c(c(cc(CN(C(=[S][Au]8[Au]9%10)S%10)CCc%10ccccc%10)c7)C4)OCCC)cc(c6)CN(CCc4ccccc4)C4=[S][Au]6[Au](S4)[S]=C(S6)N(CCc4ccccc4)Cc4cc6c(OCCC)c(c4)Cc4c(OCCC)c(Cc7c(c(Cc%10c(c(cc(CN(C(S8)=[S]9)CCc8ccccc8)c%10)C6)OCCC)cc(c7)CN(C(=[S]2)S3)CCc2ccccc2)OCCC)cc(c4)CN(C2=[S][Au]3[Au]([S]=C(S3)N(Cc(c1)c5)CCc1ccccc1)S2)CCc1ccccc1
• Title of publication: From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.
• Authors of publication: Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 31
• Pages of publication: 10921 - 10929
• a: 26.51 ± 0.002 Å
• b: 39.79 ± 0.001 Å
• c: 39.011 ± 0.003 Å
• α: 90°
• β: 105.588 ± 0.003°
• γ: 90°
• Cell volume: 39637 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.9001 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No