Information card for entry 4500406

Structure parameters

• Formula: C12 H20 Ag I3 N4 S4
• Calculated formula: C12 H20 Ag I3 N4 S4
• SMILES: [I-](I)I.[Ag]12([S]=C3N(CCN(C)C3=[S]2)C)[S]=C2N(CCN(C2=[S]1)C)C
• Title of publication: Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide
• Authors of publication: Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1278
• a: 9.328 ± 0.001 Å
• b: 15.087 ± 0.001 Å
• c: 33.966 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4780.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No