Information card for entry 2010713

Structure parameters

• Chemical name: [(2-isopropylthio)benzoato-O,S]phenyl(triphenylphosphine)palladium(II) tetrahydrofuran solvate
• Formula: C38 H39 O3 P Pd S
• Calculated formula: C37.996 H38.992 O2.999 P Pd S
• Title of publication: [2-(Isopropylthio)benzoato-<i>O</i>,<i>S</i>]phenyl(triphenylphosphine)palladium(II) tetrahydrofuran solvate
• Authors of publication: Thompson, Catharine; Kruger, Gert J.; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 332 - 333
• a: 9.8574 ± 0.0006 Å
• b: 10.9503 ± 0.0006 Å
• c: 16.5057 ± 0.001 Å
• α: 100.142 ± 0.001°
• β: 95.803 ± 0.001°
• γ: 96.244 ± 0.001°
• Cell volume: 1730.19 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes