Information card for entry 7224595

Structure parameters

• Formula: C20 H22 Cl2 N2 O6 Pd S2
• Calculated formula: C20 H22 Cl2 N2 O6 Pd S2
• SMILES: [C@H](C(=O)c1ccc(cc1)N(=O)=O)([S+](C)C)[Pd](Cl)([C@H](C(=O)c1ccc(cc1)N(=O)=O)[S+](C)C)Cl
• Title of publication: New Pd(II) Complexes of Sulfur Ylide; Synthesis, X-ray Characterization, Theoretical Study and Catalytic Activity toward Mizoroki-Heck Reaction
• Authors of publication: Sabounchei, S. J.; Ahmadianpoor, Mahmood; Yousefi, Abed; Hashemi, Ali; Bayat, Mehdi; Sedghi, Asieh; Akhlaghi Bagherjeri, Fateme; W. Gable, Robert
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.1934 ± 0.0005 Å
• b: 7.5432 ± 0.0005 Å
• c: 11.4096 ± 0.0008 Å
• α: 94.723 ± 0.006°
• β: 103.384 ± 0.006°
• γ: 91.985 ± 0.006°
• Cell volume: 599.32 ± 0.07 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No