Information card for entry 1572940

Structure parameters

• Formula: C182 H130 B Cl27 F4 N51.5 O20.25 Pd4
• Calculated formula: C172 H116 B Cl18 F4 N48 O20 Pd4
• Title of publication: Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage
• Authors of publication: Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin; Bloch, Witold
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 14.977 ± 0.003 Å
• b: 27.843 ± 0.006 Å
• c: 49.372 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20588 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1612
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2667
• Weighted residual factors for all reflections included in the refinement: 0.3166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No