Information card for entry 4341471

Structure parameters

• Common name: em26rd72 But/Hex
• Formula: C40 H32 Ag2 Au2 F20 S8
• Calculated formula: C40 H32 Ag2 Au2 F20 S8
• SMILES: [Ag]123([Au](c4c(c(c(c(c4F)F)F)F)F)c4c(F)c(F)c(F)c(c4F)F)[S]4CC[S]1CC[S]2CC[S]3CC[S]1[Ag]23([Au](c5c(c(c(c(c5F)F)F)F)F)c5c(F)c(F)c(F)c(F)c5F)[S](CC1)CC[S]2CC[S]3CC4
• Title of publication: Influence of crown thioether ligands in the structures and of perhalophenyl groups in the optical properties of complexes with argentoaurophilic interactions.
• Authors of publication: Blake, Alexander J.; Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10471 - 10484
• a: 9.7697 ± 0.0006 Å
• b: 10.342 ± 0.0006 Å
• c: 13.2998 ± 0.0008 Å
• α: 69.799 ± 0.003°
• β: 80.194 ± 0.003°
• γ: 72.771 ± 0.003°
• Cell volume: 1201.06 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No