Information card for entry 4341468

Structure parameters

• Common name: em50rd82 THF/Hex
• Formula: C22 H20 Ag Au Cl10 S4
• Calculated formula: C22 H20 Ag Au Cl10 S4
• SMILES: [Ag]123([Au](c4c(c(c(c(c4Cl)Cl)Cl)Cl)Cl)c4c(c(c(c(c4Cl)Cl)Cl)Cl)Cl)[S]4CC[S]3CCC[S]2CC[S]1CCC4
• 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: 8.4456 ± 0.0005 Å
• b: 21.8643 ± 0.0012 Å
• c: 17.2493 ± 0.0005 Å
• α: 90°
• β: 92.41 ± 0.003°
• γ: 90°
• Cell volume: 3182.4 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No