Information card for entry 4332176

Structure parameters

• Formula: C26 H28 N2 O6 P2 Pd2 S2
• Calculated formula: C26 H28 N2 O6 P2 Pd2 S2
• SMILES: P(=O)([S]1[Pd]2(c3ccccc3c3[n]2cccc3)[S](P(=O)(OC)OC)[Pd]21c1ccccc1c1[n]2cccc1)(OC)OC
• Title of publication: Remarkably Efficient Hydrolysis of Methylparathion Catalyzed by [2-(2-Pyridyl)phenyl-C,N]palladium(II) Complexes
• Authors of publication: Kim, Mieock; Picot, Alexandre; Gabbaï, François P.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5600 - 5606
• a: 7.8374 ± 0.0016 Å
• b: 19.451 ± 0.004 Å
• c: 19.6 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2987.9 ± 1.1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• 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: 0.1139
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No