Information card for entry 4117488

Structure parameters

• Formula: C96 H84 Ag4 Au4 B4 Cl8 F16 N8 S8
• Calculated formula: C96 H84 Ag4 Au4 B4 Cl8 F16 N8 S8
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1(c2n3[n]4c1C[S]([Ag]1[Au]564[Au]473[Ag]([S](C2)c2ccccc2)[S](Cc2c(c3C[S](c8ccccc8)[Ag]8[S](Cc9c(c%10n%11[n]9[Au]78([n]3n42)[Au]25%11[Ag]([S](C%10)c3ccccc3)[S](Cc3c(c(C[S]1c1ccccc1)[n]6n23)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• 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: 31.0857 ± 0.0005 Å
• b: 13.319 ± 0.0003 Å
• c: 29.7191 ± 0.0005 Å
• α: 90°
• β: 118.078 ± 0.001°
• γ: 90°
• Cell volume: 10856.5 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No