Information card for entry 7124781

Structure parameters

• Formula: C210 H199 Cl16 F24 N21 O32 Pd4 S8
• Calculated formula: C174 Cl16 F24 N8 O28 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: 16.3201 ± 0.0003 Å
• b: 29.0112 ± 0.0003 Å
• c: 27.2545 ± 0.0003 Å
• α: 90°
• β: 105.883 ± 0.001°
• γ: 90°
• Cell volume: 12411.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2232
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.67 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No