Information card for entry 7024514

Structure parameters

• Formula: C38 H40 Cl6 N2 O6 P2 Pd S2
• Calculated formula: C38 H40 Cl6 N2 O6 P2 Pd S2
• SMILES: c1(ccccc1)[P](c1cccc[nH+]1)(c1ccccc1)[Pd](Cl)(Cl)[P](c1ccccc1)(c1cccc[nH+]1)c1ccccc1.C(Cl)Cl.CS(=O)(=O)[O-].CS(=O)(=O)[O-].C(Cl)Cl
• Title of publication: The synthesis of, and characterization of the dynamic processes occurring in Pd(II) chelate complexes of 2-pyridyldiphenylphosphine.
• Authors of publication: Liu, Jianke; Jacob, Chacko; Sheridan, Kelly J.; Al-Mosule, Firas; Heaton, Brian T.; Iggo, Jonathan A.; Matthews, Mark; Pelletier, Jeremie; Whyman, Robin; Bickley, Jamie F.; Steiner, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 34
• Pages of publication: 7921 - 7935
• a: 23.972 ± 0.003 Å
• b: 10.0239 ± 0.0014 Å
• c: 18.27 ± 0.003 Å
• α: 90°
• β: 95.549 ± 0.003°
• γ: 90°
• Cell volume: 4369.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0896
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No