Information card for entry 1546909

Structure parameters

• Formula: C73 H48 Cl3 F12 O3 P3 Pd3 S4
• Calculated formula: C73 H48 Cl3 F12 O3 P3 Pd3 S4
• SMILES: [Pd]123([Pd]4([Pd]1([S]4c1ccc(Cl)cc1)([S]3c1ccc(Cl)cc1)[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)([S]2c1ccc(Cl)cc1)[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.S(=O)(=O)([O-])C(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: 10.4508 ± 0.0005 Å
• b: 24.6808 ± 0.0011 Å
• c: 29.1391 ± 0.0013 Å
• α: 90°
• β: 94.151 ± 0.004°
• γ: 90°
• Cell volume: 7496.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No