Information card for entry 1570759

Structure parameters

• Formula: C120 H104 Cu4 N12 O38
• Calculated formula: C120 H104 Cu4 N12 O38
• Title of publication: Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.
• Authors of publication: Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 2857 - 2866
• a: 19.7309 ± 0.0002 Å
• b: 16.8006 ± 0.0002 Å
• c: 24.9013 ± 0.0002 Å
• α: 90°
• β: 93.538 ± 0.001°
• γ: 90°
• Cell volume: 8238.82 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2422
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No