Information card for entry 7135107

Structure parameters

• Formula: C52 H52 Ag2 F6 N12 O8 S4
• Calculated formula: C52 H52 Ag2 F6 N12 O8 S4
• Title of publication: Dependence of an anion template on amino acid binding in DMSO/H₂O by a chiral Ag/urea-based tweezer.
• Authors of publication: Sawant, Diksha U.; Halat, Peter; McKay, Alasdair I.; Izgorodina, Ekaterina I.; Turner, David R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 95
• Pages of publication: 18846 - 18849
• a: 8.38282 ± 0.00006 Å
• b: 13.97902 ± 0.0001 Å
• c: 14.3924 ± 0.00008 Å
• α: 115.939 ± 0.0007°
• β: 100.085 ± 0.0006°
• γ: 95.7768 ± 0.0006°
• Cell volume: 1462.99 ± 0.02 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No