Information card for entry 7124780

Structure parameters

• Formula: C226 H226 Cl16 F24 N26 O68 Pd4 S8
• Calculated formula: C208 H172 Cl16 F24 N8 O32 Pd4 S8
• Title of publication: Neutral versus polycationic coordination cages: a comparison regarding neutral guest inclusion.
• Authors of publication: Szalóki, György; Croué, Vincent; Allain, Magali; Goeb, Sébastien; Sallé, Marc
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 65
• Pages of publication: 10012 - 10015
• a: 17.8945 ± 0.0006 Å
• b: 19.5103 ± 0.0006 Å
• c: 20.507 ± 0.0007 Å
• α: 90.134 ± 0.002°
• β: 99.808 ± 0.003°
• γ: 110.635 ± 0.003°
• Cell volume: 6587.2 ± 0.4 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.1165
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2317
• Weighted residual factors for all reflections included in the refinement: 0.2625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No