Information card for entry 4117485

Structure parameters

• Formula: C68 H60 Ag4 Au4 B4 F16 N8 S8
• Calculated formula: C68 H60 Ag4 Au4 B4 F16 N8 S8
• SMILES: [Au]12[Ag]3[S](Cc4n1[n]1[Au]5[Ag]([S](Cc1c4)c1ccccc1)[S](Cc1n5[n]4[Au]5[Ag]([S](Cc4c1)c1ccccc1)[S](Cc1n5[n]4[Au]5[Ag]([S](Cc4c1)c1ccccc1)[S](Cc1n5[n]2c(c1)C[S]3c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions
• Authors of publication: Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2938 - 2941
• a: 20.2808 ± 0.001 Å
• b: 31.1535 ± 0.0014 Å
• c: 13.2331 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8360.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0853
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No