Information card for entry 1577145

Structure parameters

• Chemical name: LPL-E-Cage
• Formula: C172 H196 B4 F16 N48 O6 Pd2 S6
• Calculated formula: C140 H148 B4 F16 N32 O6 Pd2 S6
• Title of publication: White-light powered autonomous molecular ratchet drives PdII capsules out of equilibrium
• Authors of publication: Pruñonosa Lara, Lidón; Bädorf, Benedikt; Notheis, Maximilian J.; Schnakenburg, Gregor; Grimme, Stefan; von Krbek, Larissa K. S.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 14.5427 ± 0.0013 Å
• b: 15.529 ± 0.0014 Å
• c: 20.7884 ± 0.0018 Å
• α: 89.243 ± 0.003°
• β: 79.385 ± 0.003°
• γ: 80.121 ± 0.003°
• Cell volume: 4545.1 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.169
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2476
• Weighted residual factors for all reflections included in the refinement: 0.3006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No