Information card for entry 4348909

Structure parameters

• Formula: C36 H24 Ag2 Au2 Cl20 S6
• Calculated formula: C36 H24 Ag2 Au2 Cl20 S6
• SMILES: [Ag]12([Au](c3c(c(c(c(c3Cl)Cl)Cl)Cl)Cl)c3c(c(c(c(c3Cl)Cl)Cl)Cl)Cl)[S]3CC[S]1CC[S]2CC3
• Title of publication: Tuning the Luminescent Properties of a Ag/Au Tetranuclear Complex Featuring Metallophilic Interactions via Solvent-Dependent Structural Isomerization.
• Authors of publication: Donamaría, Rocío; Gimeno, M Concepción; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11299 - 11310
• a: 24.2987 ± 0.0008 Å
• b: 15.534 ± 0.0004 Å
• c: 17.1549 ± 0.0005 Å
• α: 90°
• β: 124.092 ± 0.001°
• γ: 90°
• Cell volume: 5362.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No