Information card for entry 4103695

Structure parameters

• Formula: C204 H198 Au18 F36 O2 P24 S6
• Calculated formula: C204 H198 Au18 F36 O2 P24 S6
• SMILES: C1C[P]([Au]234[Au]5678[P]1(CC[P]([Au]136[S]2[Au]2341[P]1(CC[P]([Au]462[S]2[Au]34([P](CC1)(c1ccccc1)c1ccccc1)[Au]1362[P]2(CC[P]([Au]461[S]1[Au]9%104([P]4(CC[P]([Au]%11%129[S]9[Au]%10%11([P](CC4)(c4ccccc4)c4ccccc4)[Au]4%10%129[P]9(CC[P]([Au]%11%124[S]4[Au]%10%11([P](CC9)(c9ccccc9)c9ccccc9)[Au]9%10%124[P]4(CC[P]([Au]%1179[S]5[Au]8%10%11[P](CC4)(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)c4ccccc4)[Au]361[P](CC2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: An Unprecedented Luminescent Polynuclear Gold(I) μ3-Sulfido Cluster With a Thiacrown-like Architecture
• Authors of publication: Terence Kwok-Ming Lee; Nianyong Zhu; Vivian Wing-Wah Yam
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17646 - 17648
• a: 16.025 ± 0.003 Å
• b: 20.624 ± 0.004 Å
• c: 21.736 ± 0.004 Å
• α: 92.21 ± 0.02°
• β: 109.19 ± 0.02°
• γ: 100.89 ± 0.02°
• Cell volume: 6623 ± 2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No