Information card for entry 2013069

Structure parameters

• Chemical name: [5-Benzyl-3-phenyl-2-(2-pyridyl-κN)thiazolidin-4-one-κS]dichloropalladium(II)
• Formula: C21 H18 Cl2 N2 O Pd S
• Calculated formula: C21 H18 Cl2 N2 O Pd S
• SMILES: [Pd]1(Cl)(Cl)[S]2[C@H](N(C(=O)[C@@H]2Cc2ccccc2)c2ccccc2)c2[n]1cccc2.[Pd]1(Cl)(Cl)[S]2[C@@H](N(C(=O)[C@H]2Cc2ccccc2)c2ccccc2)c2[n]1cccc2
• Title of publication: [5-Benzyl-3-phenyl-2-(2-pyridyl-κ<i>N</i>)thiazolidin-4-one-κ<i>S</i>]dichloropalladium(II)
• Authors of publication: Mills, Allison M.; Lutz, Martin; Strijdonck, Gino P. F. van; Kamer, Paul C. J.; Leeuwen, Piet W. N. M. van; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m583 - m585
• a: 11.127 ± 0.0008 Å
• b: 15.622 ± 0.001 Å
• c: 12.47 ± 0.001 Å
• α: 90°
• β: 106.28 ± 0.01°
• γ: 90°
• Cell volume: 2080.7 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• 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: 0.069
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes