Information card for entry 2008342

Structure parameters

• Chemical name: Chloro(diethyl dithiophosphato-S,S')(triphenylphosphine-P)palladium(II)
• Formula: C22 H25 Cl O2 P2 Pd S2
• Calculated formula: C22 H25 Cl O2 P2 Pd S2
• SMILES: [Pd]1(SP(=[S]1)(OCC)OCC)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chloro(diethyl dithiophosphato-<i>S</i>,<i>S</i>')(triphenylphosphine-<i>P</i>)palladium(II)
• Authors of publication: Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Narayan, Sanjay; Jain, Vimal K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 541 - 543
• a: 18.178 ± 0.003 Å
• b: 9.233 ± 0.004 Å
• c: 30.904 ± 0.007 Å
• α: 90°
• β: 101.3 ± 0.01°
• γ: 90°
• Cell volume: 5086 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.217
• Weighted residual factors for significantly intense reflections: 0.159
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No