Information card for entry 7133642

Structure parameters

• Formula: C80 H80 B4 F16 N16 O8 Pd Pt S4
• Calculated formula: C80 H80 B4 F16 N16 O8 Pd Pt S4
• Title of publication: Modulating the guest binding ability within mixed-coordination geometry [Pd(μ-L)₄RuCl₂]²⁺ and [Pd(μ-L)₄Pt]⁴⁺ cage architectures.
• Authors of publication: Gearing, Hayden B.; Söhnel, Tilo; Young, Paul; Lisboa, Lynn; Wright, L. James; Crowley, James D.; Hartinger, Christian G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 78
• Pages of publication: 10950 - 10953
• a: 19.89755 ± 0.0002 Å
• b: 18.63351 ± 0.00019 Å
• c: 23.8075 ± 0.0002 Å
• α: 90°
• β: 95.0374 ± 0.0009°
• γ: 90°
• Cell volume: 8792.8 ± 0.15 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 9
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No