Information card for entry 1546910

Structure parameters

• Formula: C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2
• Calculated formula: C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2
• SMILES: c1(ccc(cc1)F)[P](c1ccc(cc1)F)(c1ccc(cc1)F)[Pd]1234[S](c5ccc(cc5)Cl)[Pd]563([P](c3ccc(cc3)F)(c3ccc(cc3)F)c3ccc(cc3)F)[S](c3ccc(cc3)Cl)[Pd]25([P](c2ccc(cc2)F)(c2ccc(cc2)F)c2ccc(cc2)F)([S]1c1ccc(cc1)Cl)[Ag]46([OH2])([O]1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1.[F-][Sb](F)(F)(F)(F)F.F[Sb](F)(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: 21.8782 ± 0.0004 Å
• b: 22.7145 ± 0.0004 Å
• c: 39.349 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19554.6 ± 1.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 10
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No