Information card for entry 7026351

Structure parameters

• Formula: C17 H24 Cl4 N2 Pd S
• Calculated formula: C17 H24 Cl4 N2 Pd S
• SMILES: [Pd]1(=C2N(C=CN2CC[S]1CC)c1c(cc(cc1C)C)C)(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis of N,N'-bis(thioether)-functionalized imidazolium salts: their reactivity towards Ag and Pd complexes and first S,C(NHC),S free carbene.
• Authors of publication: Fliedel, Christophe; Sabbatini, Alessandra; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8820 - 8828
• a: 12.778 ± 0.001 Å
• b: 11.845 ± 0.001 Å
• c: 14.879 ± 0.002 Å
• α: 90°
• β: 103.886 ± 0.004°
• γ: 90°
• Cell volume: 2186.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No