Information card for entry 7041616

Structure parameters

• Formula: C30 H42 F6 N6 O6 Pd S4
• Calculated formula: C30 H42 F6 N6 O6 Pd S4
• SMILES: c1(ccc([N+](C)(C)C)cc1)S[Pd](=C1N(C=CN1C)C)(=C1N(C=CN1C)C)Sc1ccc([N+](C)(C)C)cc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Palladium(ii) and palladium(ii)-silver(i) complexes with N-heterocyclic carbene and zwitterionic thiolate mixed ligands: synthesis, structural characterization and catalytic properties.
• Authors of publication: Wang, Yu-Ting; Gao, Bin-Bin; Wang, Fan; Liu, Shi-Yuan; Yu, Hong; Zhang, Wen-Hua; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1832 - 1839
• a: 16.4841 ± 0.0014 Å
• b: 10.5395 ± 0.0009 Å
• c: 11.6208 ± 0.001 Å
• α: 90°
• β: 108.772 ± 0.002°
• γ: 90°
• Cell volume: 1911.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0235
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No