Information card for entry 4130266

Structure parameters

• Formula: C114 H100 Au6 B2 F8 N2 P6
• Calculated formula: C114 H100 Au6 B2 F8 N2 P6
• SMILES: [C@H]12[C@@H](CCCC1)[N]13[Au]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([Au]4([N]52[Au]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Au]45[P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[Au]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au]3[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.
• Authors of publication: He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 17
• Pages of publication: 5634 - 5643
• a: 16.145 ± 0.003 Å
• b: 17.072 ± 0.003 Å
• c: 41.943 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11561 ± 4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No