Information card for entry 4333493

Structure parameters

• Formula: C27 H30 Cl4 N O3 P Pd S
• Calculated formula: C27 H30 Cl4 N O3 P Pd S
• SMILES: [Pd]1(Cl)(Cl)P2(=O)Oc3ccc4ccccc4c3[S]1c1c3ccccc3ccc1O2.[NH+](CC)(CC)CC.C(Cl)Cl
• Title of publication: Highly Air-Stable Anionic Mononuclear and Neutral Binuclear Palladium(II) Complexes for C−C and C−N Bond-Forming Reactions
• Authors of publication: Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11316 - 11327
• a: 8.2069 ± 0.0007 Å
• b: 12.61 ± 0.001 Å
• c: 15.004 ± 0.001 Å
• α: 101.169 ± 0.001°
• β: 101.788 ± 0.001°
• γ: 97.862 ± 0.001°
• Cell volume: 1465.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No