Information card for entry 2011546

Structure parameters

• Chemical name: cis-μ-Chloro-μ-p-toluenethiolato-bis[chloro(triethylphosphine)palladium]
• Formula: C19 H37 Cl3 P2 Pd2 S
• Calculated formula: C19 H37 Cl3 P2 Pd2 S
• SMILES: [Pd]1([S]([Pd]([Cl]1)(Cl)[P](CC)(CC)CC)c1ccc(cc1)C)(Cl)[P](CC)(CC)CC
• Title of publication: <i>cis</i>-μ-Chloro-μ-<i>p</i>-toluenethiolato-bis[chloro(triethylphosphine)palladium]
• Authors of publication: Alyea, Elmer C.; Kannan, Shanmugaperumal; Ferguson, George
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: e493 - e494
• a: 7.8564 ± 0.0007 Å
• b: 17.4629 ± 0.0016 Å
• c: 9.7865 ± 0.0016 Å
• α: 90°
• β: 92.132 ± 0.009°
• γ: 90°
• Cell volume: 1341.7 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes