Information card for entry 4122277

Structure parameters

• Formula: C156 H136 Au12 Cl4 P12 S6
• Calculated formula: C156 H136 Au12 Cl4 P12 S6
• SMILES: [P]1([Au][S]2[Au][P](c3ccccc3)(C3[P]([Au][S]([Au][P](c4ccccc4)(c4ccccc4)C1CSC3)[Au][P](c1ccccc1)(c1ccccc1)C(=C)[P]([Au][S]1[Au][P](c3ccccc3)(c3ccccc3)C3[P]([Au][S]([Au][P](c4ccccc4)(c4ccccc4)C(=C)[P]([Au]2)(c2ccccc2)c2ccccc2)[Au][P](c2ccccc2)(c2ccccc2)C([P]([Au]1)(c1ccccc1)c1ccccc1)CSC3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-]
• Title of publication: Addition Reaction-Induced Cluster-to-Cluster Transformation: Controlled Self-Assembly of Luminescent Polynuclear Gold(I) μ3-Sulfido Clusters.
• Authors of publication: Yao, Liao-Yuan; Hau, Franky Ka-Wah; Yam, Vivian Wing-Wah
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 30
• Pages of publication: 10801 - 10806
• a: 16.3705 ± 0.0019 Å
• b: 17.829 ± 0.002 Å
• c: 19.46 ± 0.002 Å
• α: 100.583 ± 0.002°
• β: 101.699 ± 0.002°
• γ: 112.083 ± 0.002°
• Cell volume: 4937.9 ± 1 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No