Information card for entry 7719537

Structure parameters

• Formula: C186.5 H176.5 Co4 N15.5 O31.5
• Calculated formula: C164 H120 Co4 N8 O24
• 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: 12.677 ± 0.004 Å
• b: 13.196 ± 0.005 Å
• c: 31.941 ± 0.008 Å
• α: 85.58 ± 0.03°
• β: 88.5 ± 0.02°
• γ: 89.2 ± 0.04°
• Cell volume: 5325 ± 3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.183
• Residual factor for significantly intense reflections: 0.1666
• Weighted residual factors for significantly intense reflections: 0.4204
• Weighted residual factors for all reflections included in the refinement: 0.4394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.717
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No