Information card for entry 2239405

Structure parameters

• Chemical name: <i>trans</i>-Chlorido(4-fluorobenzenethiolato-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)palladium(II) methanol hemisolvate
• Formula: C42.5 H36 Cl F O0.5 P2 Pd S
• Calculated formula: C42.5 H36 Cl F O0.5 P2 Pd S
• Title of publication: <i>trans</i>-Chlorido(4-fluorobenzenethiolato-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)palladium(II) methanol hemisolvate
• Authors of publication: Avila-Sorrosa, Alcives; Santacruz-Juárez, Ericka; Reyes-Arellano, Alicia; Reyes-Martínez, Reyna; Morales-Morales, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: m92 - m93
• a: 18.9189 ± 0.0016 Å
• b: 9.6909 ± 0.0008 Å
• c: 21.6179 ± 0.0018 Å
• α: 90°
• β: 106.212 ± 0.001°
• γ: 90°
• Cell volume: 3805.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes