Information card for entry 1512760

Structure parameters

• Formula: C35 H26 N O P Pd S
• Calculated formula: C35 H26 N O P Pd S
• SMILES: c1cc2ccc3O[Pd]4([N](=Cc3c2cc1)c1ccccc1S4)[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: 10.7831 ± 0.0012 Å
• b: 29.07 ± 0.003 Å
• c: 9.0339 ± 0.001 Å
• α: 90°
• β: 104.224 ± 0.001°
• γ: 90°
• Cell volume: 2745 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0269
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No