Information card for entry 7017134

Structure parameters

• Common name: Pd ''click'' cage
• Formula: C128 H120 B4 F16 N33 O16 Pd2
• Calculated formula: C112 H96 B4 F16 N24 O16 Pd2
• Title of publication: Self-assembled palladium(ii) "click" cages: synthesis, structural modification and stability.
• Authors of publication: Scott, Synøve Ø; Gavey, Emma L.; Lind, Samuel J.; Gordon, Keith C.; Crowley, James D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12117 - 12124
• a: 27.9204 ± 0.0017 Å
• b: 22.5838 ± 0.0014 Å
• c: 24.61 ± 0.003 Å
• α: 90°
• β: 122.689 ± 0.003°
• γ: 90°
• Cell volume: 13060 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No