Information card for entry 7239881

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: 6.0437 ± 0.0003 Å
• b: 11.6835 ± 0.0006 Å
• c: 14.5203 ± 0.001 Å
• α: 90°
• β: 96.343 ± 0.007°
• γ: 90°
• Cell volume: 1019.02 ± 0.1 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: 0.0367
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No