Information card for entry 2011285

Structure parameters

• Chemical name: trans-Chloro(2-nitrobenzenethiolato-S)bis(triphenylphosphine-P)palladium(II) monoacetone solvate
• Formula: C45 H40 Cl N O3 P2 Pd S
• Calculated formula: C45 H40 Cl N O3 P2 Pd S
• Title of publication: <i>trans</i>-Chloro(2-nitrobenzenethiolato-<i>S</i>)bis(triphenylphosphine-<i>P</i>)palladium(II) monoacetone solvate
• Authors of publication: Aupers, John H.; Ferguson, George; Glidewell, Christopher; Low, John N.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 945 - 947
• a: 18.292 ± 0.007 Å
• b: 10.969 ± 0.003 Å
• c: 21.363 ± 0.008 Å
• α: 90°
• β: 105.093 ± 0.0017°
• γ: 90°
• Cell volume: 4139 ± 2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes