Information card for entry 7002166

Structure parameters

• Formula: C52 H20 Au2 Cu2 F20 N4
• Calculated formula: C52 H20 Au2 Cu2 F20 N4
• SMILES: [Au]([Cu]([N]#Cc1ccccc1)[N]#Cc1ccccc1)([Au]([Cu]([N]#Cc1ccccc1)[N]#Cc1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Unsupported Au(i)⋯Cu(i) interactions: influence of nitrile ligands and aurophilicity on the structure and luminescence
• Authors of publication: Fernández, Eduardo J.; Laguna, Antonio; López-de-Luzuriaga, José M.; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Rodríguez-Castillo, María
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7509 - 7518
• a: 13.423 ± 0.001 Å
• b: 13.459 ± 0.001 Å
• c: 16.492 ± 0.002 Å
• α: 101.795 ± 0.006°
• β: 98.641 ± 0.007°
• γ: 119.56 ± 0.006°
• Cell volume: 2424.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No