Information card for entry 1512761

Structure parameters

• Formula: C31 H24 N O P Pd S
• Calculated formula: C31 H24 N O P Pd S
• SMILES: c12ccccc1C=[N]1c3ccccc3S[Pd]1(O2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Palladium(II) complexes with salicylideneimine based tridentate ligand and triphenylphosphine: Synthesis, structure and catalytic activity in Suzuki-Miyaura cross coupling reactions
• Authors of publication: Manoharan Muthu Tamizh; Benjamin F.T. Cooper; Charles L.B. Macdonald; Ramasamy Karvembu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 391 - 400
• a: 9.0411 ± 0.0015 Å
• b: 10.1247 ± 0.0017 Å
• c: 14.784 ± 0.002 Å
• α: 101.249 ± 0.002°
• β: 92.357 ± 0.002°
• γ: 96.148 ± 0.002°
• Cell volume: 1317 ± 0.4 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: 0.0449
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No