Information card for entry 2207880

Structure parameters

• Chemical name: Chloro(pyrimidine-2-thiolato-κ^2^N,S)(triphenylphosphine-κP)palladium(II) methanol solvate
• Formula: C22.5 H20 Cl N2 O0.5 P Pd S
• Calculated formula: C22.5 H18 Cl N2 O0.5 P Pd S
• Title of publication: Chloro(pyrimidine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)(triphenylphosphine-κ<i>P</i>)palladium(II) methanol hemisolvate
• Authors of publication: Shaheen, Farkhanda; Najam-Ul-Haq, Muhammad; Badshah, Amin; Wurst, Klaus; Ali, Saqib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m138 - m140
• a: 16.134 ± 0.0002 Å
• b: 9.702 ± 0.0001 Å
• c: 29.048 ± 0.0004 Å
• α: 90°
• β: 102.617 ± 0.001°
• γ: 90°
• Cell volume: 4437.14 ± 0.1 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes