Information card for entry 7009127

Structure parameters

• Formula: C31 H35 Cl0 O4.5 P2 Pd2 S4
• Calculated formula: C31 H34 O4.5 P2 Pd2 S4
• SMILES: [Pd]12([S](CC[S]13)[Pd]35S(=O)(=O)CCS5(=O)=O)[P](CCC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: A new access to palladium‒phosphine chemistry. Formation of polynuclear palladium compounds via the oxidation of ligands in simple palladium(II) complexes
• Authors of publication: Su, Weiping; Cao, Rong; Hong, Maochun; Wu, Daxu; Lu, Jiaxi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1527
• a: 15.905 ± 0.003 Å
• b: 22.848 ± 0.005 Å
• c: 18.904 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6870 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.0795
• Goodness-of-fit parameter for all reflections: 1.362
• Goodness-of-fit parameter for significantly intense reflections: 1.414
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No