Information card for entry 7041617

Structure parameters

• Formula: C80 H110 Cl2 F18 N14 O18 Pd4 S12
• Calculated formula: C80 H110 Cl2 F18 N14 O18 Pd4 S12
• 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: 12.6916 ± 0.0006 Å
• b: 15.6346 ± 0.0005 Å
• c: 17.436 ± 0.0009 Å
• α: 101.276 ± 0.004°
• β: 107.34 ± 0.005°
• γ: 97.781 ± 0.004°
• Cell volume: 3168.7 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1862
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2925
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No