Information card for entry 1546911

Structure parameters

• Formula: C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3
• Calculated formula: C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3
• SMILES: [Ag]12([Pd]345([Pd]61([Pd]23([S]5c1ccc(Cl)cc1)([S]6c1ccc(Cl)cc1)[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)([S]4c1ccc(Cl)cc1)[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)([OH2])[OH2].ClC(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations
• Authors of publication: Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 19.9665 ± 0.0004 Å
• b: 30.9093 ± 0.0006 Å
• c: 32.546 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20085.8 ± 1.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 10
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No