Information card for entry 7012358

Structure parameters

• Formula: C48 H92 Ag2 N14 O16 S4
• Calculated formula: C48 H92 Ag2 N14 O16 S4
• SMILES: [Ag]12345[S]67[Ag]89%10([N](CC[N]%10(CC6)CC(=O)NC(=O)NC(C)(C)C)(CC[S]8CCOCC7)CC(=[O]9)NC(=O)NC(C)(C)C)[S]62CCOCC[S]1CC[N]4(CC[N]3(CC6)CC(=O)NC(=O)NC(C)(C)C)CC(=[O]5)NC(=O)NC(C)(C)C.O=N(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Anion effects in selective bifunctional metal salt extractants based on aza-thioether macrocycles: co-operative cation‒anion binding?
• Authors of publication: Mark W. Glenny; Alexander J. Blake; Claire Wilson; Martin Schröder
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1941 - 1951
• a: 12.8639 ± 0.0003 Å
• b: 15.5509 ± 0.0004 Å
• c: 17.1342 ± 0.0007 Å
• α: 93.6089 ± 0.0012°
• β: 96.4705 ± 0.0012°
• γ: 110.997 ± 0.0016°
• Cell volume: 3159.85 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1336
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No