Information card for entry 1575231

Structure parameters

• Formula: C38 H28 N2 O8
• Calculated formula: C38 H28 N2 O8
• Title of publication: A metallosupramolecular-based ring-in-ring complex showing reversible host-guest dynamics and switchable electrochemical properties.
• Authors of publication: Martínez-Visiedo, Joel; Ibáñez, Susana; Dawe, Louise N.; Peris, Eduardo
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 35
• Pages of publication: 20089 - 20095
• a: 7.8266 ± 0.0001 Å
• b: 15.0675 ± 0.0003 Å
• c: 24.1674 ± 0.0004 Å
• α: 90°
• β: 97.197 ± 0.002°
• γ: 90°
• Cell volume: 2827.54 ± 0.08 ų
• Cell temperature: 200 ± 0.3 K
• Ambient diffraction temperature: 200 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No