Information card for entry 7719638

Structure parameters

• Formula: C201 H227.5 B12 F48 N82.5 O2 Pd6 S12
• Calculated formula: C188 H208 B12 F48 N76 O2 Pd6 S12
• Title of publication: Wide variability in the stability of Pd₆L_<i>x</i>-type coordination cages.
• Authors of publication: de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Severin, Kay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 42
• Pages of publication: 15773 - 15779
• a: 19.5169 ± 0.00015 Å
• b: 33.34179 ± 0.00013 Å
• c: 22.84232 ± 0.00014 Å
• α: 90°
• β: 111.96 ± 0.0008°
• γ: 90°
• Cell volume: 13785.7 ± 0.17 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No