Information card for entry 4135375

Structure parameters

• Formula: C108.5 H94.5 F24 Fe2 N25 P4
• Calculated formula: C108.5 H94.5 F24 Fe2 N25 P4
• Title of publication: Rotaxanating Metallo-supramolecular Nano-cylinder Helicates to Switch DNA Junction Binding
• Authors of publication: Hooper, Catherine A. J.; Cardo, Lucia; Craig, James S.; Melidis, Lazaros; Garai, Aditya; Egan, Ross T.; Sadovnikova, Viktoriia; Burkert, Florian; Male, Louise; Hodges, Nikolas J.; Browning, Douglas F.; Rosas, Roselyne; Liu, Fengbo; Rocha, Fillipe V.; Lima, Mauro A.; Liu, Simin; Bardelang, David; Hannon, Michael J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 14.6717 ± 0.0004 Å
• b: 18.6418 ± 0.0005 Å
• c: 22.0009 ± 0.0004 Å
• α: 66.665 ± 0.002°
• β: 83.538 ± 0.002°
• γ: 80.35 ± 0.001°
• Cell volume: 5439.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1686
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No