Information card for entry 7041614

Structure parameters

• Formula: C30 H45 F12 N7 P2 Pd S2
• Calculated formula: C30 H45 F12 N7 P2 Pd S2
• SMILES: [Pd](Sc1ccc([N+](C)(C)C)cc1)(Sc1ccc([N+](C)(C)C)cc1)(=C1N(C=CN1C)C)=C1N(C=CN1C)C.[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: 15.2582 ± 0.0012 Å
• b: 8.1923 ± 0.0006 Å
• c: 32.518 ± 0.002 Å
• α: 90°
• β: 92.608 ± 0.002°
• γ: 90°
• Cell volume: 4060.5 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No