Information card for entry 4135489

Structure parameters

• Formula: C221 H204.5 Ag12 B4 F16 N46.5 O22.5 S4
• Calculated formula: C220.999 H179.001 Ag12 B3.9999 F15.9996 N46.4995 O22.5001 S4
• Title of publication: Selective Anion Binding Drives the Formation of AgI8L6 and AgI12L6 Six-Stranded Helicates
• Authors of publication: McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 23.9775 ± 0.0001 Å
• b: 23.9775 ± 0.0001 Å
• c: 70.6392 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 35171 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No