Information card for entry 2238603

Structure parameters

• Chemical name: {2-[1-(2-Methoxy-6-oxidophenyl-κ<i>O</i>^6^)ethylidene]-<i>N</i>-methylhydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>}(triphenylphosphane-κ<i>P</i>)palladium(II) ethanol monosolvate
• Formula: C31 H34 N3 O3 P Pd S
• Calculated formula: C31 H34 N3 O3 P Pd S
• SMILES: [Pd]12(Oc3c(C(=[N]2N=C(S1)NC)C)c(OC)ccc3)[P](c1ccccc1)(c1ccccc1)c1ccccc1.OCC
• Title of publication: {2-[1-(2-Methoxy-6-oxidophenyl-κ<i>O</i>^6^)ethylidene]-<i>N</i>-methylhydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>}(triphenylphosphane-κ<i>P</i>)palladium(II) ethanol monosolvate
• Authors of publication: Anderson, Brian J.; O'Rourke, Kelly A.; Keeler, Alexander M.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m528 - m529
• a: 8.0294 ± 0.0006 Å
• b: 12.0187 ± 0.0006 Å
• c: 16.2151 ± 0.0008 Å
• α: 105.764 ± 0.004°
• β: 100.835 ± 0.005°
• γ: 94.965 ± 0.005°
• Cell volume: 1463.34 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No