Information card for entry 4332177

Structure parameters

• Formula: C31 H29 N O3 P2 Pd S
• Calculated formula: C31 H29 N O3 P2 Pd S
• SMILES: [Pd]1(c2ccccc2c2[n]1cccc2)(SP(=O)(OC)OC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.0616 ± 0.0018 Å
• b: 17.793 ± 0.004 Å
• c: 19.315 ± 0.004 Å
• α: 112.91 ± 0.03°
• β: 96.39 ± 0.03°
• γ: 94.58 ± 0.03°
• Cell volume: 2824.8 ± 1.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No