Information card for entry 4135488

Structure parameters

• Formula: C223 H178.5 Ag8 F36 I2 N48.5 O25.5 S12
• Calculated formula: C223.002 H171 Ag8 F36 I2 N48.501 O25.5 S12
• 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: 21.642 ± 0.0003 Å
• b: 24.0386 ± 0.0004 Å
• c: 25.2054 ± 0.0004 Å
• α: 80.592 ± 0.001°
• β: 81.819 ± 0.001°
• γ: 79.012 ± 0.001°
• Cell volume: 12615.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No