Information card for entry 7007715

Structure parameters

• Common name: Pd(3)Cl2.CHCl3
• Formula: C24 H26 Cl5 P Pd S
• Calculated formula: C24 H26 Cl5 P Pd S
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CC(CC)[S](Cc2ccccc2)[Pd]1(Cl)Cl.C(Cl)(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: 14.7145 ± 0.0002 Å
• b: 13.2355 ± 0.0002 Å
• c: 14.8381 ± 0.0002 Å
• α: 90°
• β: 112.77 ± 0.001°
• γ: 90°
• Cell volume: 2664.56 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No