Information card for entry 7133641

Structure parameters

• Formula: C74 H62 B4 Cl2 F16 N16 O5 Pd Ru S
• Calculated formula: C74 H62 Cl2 N16 O5 Pd Ru S
• 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: 17.5837 ± 0.0001 Å
• b: 17.5837 ± 0.0001 Å
• c: 16.0276 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4955.52 ± 0.07 ų
• Cell temperature: 109.99 ± 0.14 K
• Ambient diffraction temperature: 109.99 ± 0.14 K
• Number of distinct elements: 10
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No