Information card for entry 7719536

Structure parameters

• Formula: C58 H48 N4 O4
• Calculated formula: C58 H48 N4 O4
• Title of publication: Perylenediimide-based metal-organic frameworks: structural, electrochemical and spectroelectrochemical characterisation.
• Authors of publication: Ogar, Joseph O.; Davies, E. Stephen; Almuhana, Asia R. Y.; Griffin, Sarah L.; Addicoat, Matthew A.; Argent, Stephen P.; Champness, Neil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 43
• Pages of publication: 16049 - 16055
• a: 10.9703 ± 0.0007 Å
• b: 26.1698 ± 0.0012 Å
• c: 23.2557 ± 0.0019 Å
• α: 90°
• β: 98.084 ± 0.007°
• γ: 90°
• Cell volume: 6610.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No