Information card for entry 7041613

Structure parameters

• Formula: C42 H64 F24 N12 P4 Pd2 S2
• Calculated formula: C42 H64 F24 N12 P4 Pd2 S2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N1(C(N(C=C1)C)=[Pd]1(=C2N(C)C=CN2C)[S](c2ccc(cc2)[N+](C)(C)C)[Pd]([S]1c1ccc(cc1)[N+](C)(C)C)(=C1N(C)C=CN1C)=C1N(C)C=CN1C)C.N#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 10.4595 ± 0.0007 Å
• b: 12.4551 ± 0.0007 Å
• c: 25.84 ± 0.0014 Å
• α: 90°
• β: 112.347 ± 0.003°
• γ: 90°
• Cell volume: 3113.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No