Information card for entry 7027601

Structure parameters

• Formula: C20 H26 Ag N O2 S2
• Calculated formula: C20 H26 Ag N O2 S2
• SMILES: [Ag](SC(=O)c1ccccc1)SC(=O)c1ccccc1.[NH+](CC)(CC)CC
• Title of publication: Chemistry of thiocarboxylates: syntheses and characterization of silver and copper thiocarboxylate complexes, and the structures of [Ph4P][M(SC{O}Me)2] (M = Cu or Ag) and [Et3NH][Ag(SC{O}Ph)2]
• Authors of publication: Sampanthar, Jeyagowry T.; Vittal, Jagadese J.; Dean, Philip A. W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 3153
• a: 11.1129 ± 0.0002 Å
• b: 19.9831 ± 0.0004 Å
• c: 10.7747 ± 0.0001 Å
• α: 90°
• β: 114.225 ± 0.001°
• γ: 90°
• Cell volume: 2182.04 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.091
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.0922
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No