Information card for entry 4123496

Structure parameters

• Formula: C158 H136 Au18 Cl4 F12 P14 S8
• Calculated formula: C158 H136 Au18 Cl4 F12 P14 S8
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Au][S]2[Au][P](c3ccccc3)(c3ccccc3)/C=C/[P]([Au]3[Au]4[S]5[Au][P](/C=C/[P]([Au][S]6[Au][P](/C=C/[P]([Au][S]7[Au][P](c8ccccc8)(c8ccccc8)/C=C/[P]([Au]5[Au]5[S]8[Au]4[Au]46[Au]([P](/C=C/1)(c1ccccc1)c1ccccc1)[S]1[Au][P](/C=C/[P]([Au]([S]35)[Au]7([S]42)[Au]81)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Photoinduced isomerization-driven structural transformation between decanuclear and octadecanuclear gold(i) sulfido clusters.
• Authors of publication: Yao, Liao-Yuan; Yam, Vivian Wing-Wah
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 10
• Pages of publication: 3506 - 3509
• a: 32.9628 ± 0.0007 Å
• b: 32.7442 ± 0.0005 Å
• c: 20.4118 ± 0.0004 Å
• α: 90°
• β: 109.837 ± 0.002°
• γ: 90°
• Cell volume: 20724 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0969
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No