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 Å3
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
