Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization
Authors of publication
Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Journal of publication
Crystal Growth & Design
Year of publication
2012
Journal volume
12
Journal issue
6
Pages of publication
2969
a
5.5999 ± 0.0011 Å
b
12.995 ± 0.003 Å
c
13.328 ± 0.003 Å
α
100.059 ± 0.007°
β
95.123 ± 0.007°
γ
95.356 ± 0.007°
Cell volume
945.3 ± 0.4 Å3
Cell temperature
300 ± 2 K
Ambient diffraction temperature
300 ± 2 K
Number of distinct elements
6
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.057
Residual factor for significantly intense reflections
0.0353
Weighted residual factors for significantly intense reflections
0.0775
Weighted residual factors for all reflections included in the refinement
0.0851
Goodness-of-fit parameter for all reflections included in the refinement
