Information card for entry 1576821

Structure parameters

• Formula: C181.5 H328 Fe4 K16 N24 O169 S24
• Calculated formula: C181.5 H159 Fe4 K6.65 N24 O168.997 S24
• Title of publication: Oppositely-charged coordination cages form a Type I porous ionic liquid with two pore sizes
• Authors of publication: Adorinni, Simone; Ryan, Hugh; Ma, Lillian; Ronson, Tanya; Gaikwad, Sudhakar; Rossi, Barbara; Nasi, Lucia; Nitschke, Jonathan; Marchesan, Silvia
• Journal of publication: Materials Horizons
• Year of publication: 2026
• a: 49.7351 ± 0.00016 Å
• b: 37.8024 ± 0.00008 Å
• c: 40.7202 ± 0.00011 Å
• α: 90°
• β: 125.573 ± 0.0002°
• γ: 90°
• Cell volume: 62270.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1527
• Residual factor for significantly intense reflections: 0.1216
• Weighted residual factors for significantly intense reflections: 0.3318
• Weighted residual factors for all reflections included in the refinement: 0.3577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No