Information card for entry 7239882

Structure parameters

• Formula: C24 H16 B2 F4 N4
• Calculated formula: C24 H16 B2 F4 N4
• Title of publication: Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.
• Authors of publication: Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 4429 - 4438
• a: 19.818 ± 0.014 Å
• b: 10.284 ± 0.005 Å
• c: 12.947 ± 0.006 Å
• α: 90°
• β: 130.539 ± 0.007°
• γ: 90°
• Cell volume: 2005 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0813
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No