Information card for entry 7124253

Structure parameters

• Formula: C49.5 H53 Cl3 F6 N4 O6 Pt S2
• Calculated formula: C49.5 H53 Cl3 F6 N4 O6 Pt S2
• Title of publication: Reversible Multi-Electron Storage in Dual-Site Redox-Active Supramolecular Cages
• Authors of publication: Plessius, Raoul; Orth, Nicole; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Reek, Joost N. H.; van der Vlugt, Jarl Ivar
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 40.579 ± 0.002 Å
• b: 12.5401 ± 0.0007 Å
• c: 24.303 ± 0.0013 Å
• α: 90°
• β: 121.629 ± 0.002°
• γ: 90°
• Cell volume: 10530 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.039
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No