Information card for entry 7007716

Structure parameters

• Common name: (Pd(4)Cl2)
• Formula: C25 H29 Cl2 P Pd S
• Calculated formula: C25 H29 Cl2 P Pd S
• SMILES: C1C(CC)[S](Cc2cc(cc(c2)C)C)[Pd]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Synthesis and characterisation of benzyl phosphino-thioether and -thiolato Pd(II) complexes and their applications in Suzuki coupling reactions.
• Authors of publication: Dervisi, Athanasia; Koursarou, Despina; Ooi, Li-Ling; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 48
• Pages of publication: 5717 - 5724
• a: 14.029 ± 0.002 Å
• b: 12.6 ± 0.002 Å
• c: 14.87 ± 0.003 Å
• α: 90°
• β: 109.835 ± 0.001°
• γ: 90°
• Cell volume: 2472.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No