Information card for entry 4066509

Structure parameters

• Formula: C32 H44 Ag4 I4 N4 S2
• Calculated formula: C32 H44 Ag4 I4 N4 S2
• SMILES: C12N(CC[S]([Ag]34[I]5[Ag]=2[I][Ag]25[I]4[Ag](=C4N(C=CN4c4c(cc(cc4C)C)C)CC[S]2CC)[I]3)CC)C=CN1c1c(cc(cc1C)C)C
• Title of publication: Thioether-Functionalized N-Heterocyclic Carbenes: Mono- and Bis-(S,CNHC) Palladium Complexes, Catalytic C−C Coupling, and Characterization of a Unique Ag4I4(S,CNHC)2Planar Cluster†
• Authors of publication: Fliedel, Christophe; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5614
• a: 9.535 ± 0.007 Å
• b: 9.86 ± 0.005 Å
• c: 11.87 ± 0.008 Å
• α: 91.4 ± 0.03°
• β: 104.55 ± 0.03°
• γ: 95.9 ± 0.04°
• Cell volume: 1073 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No