Information card for entry 7247492

Structure parameters

• Formula: C86 H62 Cl3 F9 N3 O3 P3 Pd3 S4
• Calculated formula: C86 H62 Cl3 F9 N3 O3 P3 Pd3 S4
• SMILES: [Pd]123([Pd]4([Pd]1([S]2c1ccc(Cl)cc1)([S]4c1ccc(Cl)cc1)[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)([S]3c1ccc(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-])c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
• Title of publication: Aryl sulfonate anion stabilized aromatic triangular cation [Pd3]+: syntheses, structures and properties
• Authors of publication: Wang, Miaomiao; He, Zhixin; Chen, Meng; Wang, Yanlan
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 42
• Pages of publication: 29689 - 29694
• a: 14.6261 ± 0.001 Å
• b: 30.7775 ± 0.0017 Å
• c: 20.8709 ± 0.0014 Å
• α: 90°
• β: 106.865 ± 0.007°
• γ: 90°
• Cell volume: 8991.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.1381
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No