Information card for entry 4117487

Structure parameters

• Formula: C68 H52 Ag4 Au4 B4 F24 N8 S8
• Calculated formula: C68 H52 Ag4 Au4 B4 F24 N8 S8
• SMILES: [Au]1n2[n]3[Au]n4[n]5[Au]n6[n]7[Au]n8[n]1c1cc8C[S]([Ag][S](Cc7cc6C[S]([Ag][S](Cc5cc4C[S]([Ag]([S](Cc3cc2C[S]([Ag][S](C1)c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1)[F][B](F)(F)F)c1ccc(F)cc1)c1ccc(cc1)F)c1ccc(cc1)F)c1ccc(F)cc1)c1ccc(F)cc1.[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: 17.0349 ± 0.0005 Å
• b: 35.2215 ± 0.0008 Å
• c: 16.1138 ± 0.0005 Å
• α: 90°
• β: 92.411 ± 0.003°
• γ: 90°
• Cell volume: 9659.6 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No