Information card for entry 7001120

Structure parameters

• Formula: C24 H50 N4 O10 Pd2 S
• Calculated formula: C24 H50 N4 O10 Pd2 S
• SMILES: [Pd]12(OS(=O)(=O)O[Pd]34[N](Cc5c4c(ccc5)C[N]3(C)C)(C)C)[N](Cc3c2c(ccc3)C[N]1(C)C)(C)C.O.O.O.O.O.O
• Title of publication: Sulfato-bridged ECE-pincer palladium(ii) complexes: structures in the solid-state and in solution, and catalytic properties
• Authors of publication: Kruithof, Cornelis A.; Berger, Alexsandro; Dijkstra, Harmen P.; Soulimani, Fouad; Visser, Tom; Lutz, Martin; Spek, Anthony L.; Gebbink, Robertus J. M. Klein; van Koten, Gerard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3306 - 3314
• a: 8.9056 ± 0.0003 Å
• b: 24.7652 ± 0.0005 Å
• c: 15.04568 ± 0.00013 Å
• α: 90°
• β: 91.169 ± 0.001°
• γ: 90°
• Cell volume: 3317.62 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No