Information card for entry 2232170

Structure parameters

• Chemical name: Bis(methyl xanthato)-κ<i>S</i>;κ^2^<i>S</i>:<i>S</i>'- (triphenylphosphane-κ<i>P</i>)palladium(II)
• Formula: C22 H21 O2 P Pd S4
• Calculated formula: C22 H21 O2 P Pd S4
• SMILES: [Pd]1(SC(=S)OC)(SC(=[S]1)OC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(methyl xanthato)-κ<i>S</i>;κ^2^<i>S</i>:<i>S</i>'-(triphenylphosphane-κ<i>P</i>)palladium(II)
• Authors of publication: Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1518
• a: 9.5595 ± 0.001 Å
• b: 9.5883 ± 0.001 Å
• c: 14.4661 ± 0.0016 Å
• α: 73.619 ± 0.001°
• β: 87.492 ± 0.002°
• γ: 69.617 ± 0.001°
• Cell volume: 1190.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes