Fluorinated synthetic anion carriers: experimental and computational insights into transmembrane chloride transport
Authors of publication
Spooner, Michael J.; Li, Hongyu; Marques, Igor; Costa, Pedro M. R.; Wu, Xin; Howe, Ethan N. W.; Busschaert, Nathalie; Moore, Stephen J.; Light, Mark E.; Sheppard, David N.; Félix, Vítor; Gale, Philip A.
Journal of publication
Chemical Science
Year of publication
2019
a
13.6678 ± 0.0011 Å
b
15.9682 ± 0.0016 Å
c
22.901 ± 0.002 Å
α
85.095 ± 0.005°
β
74.096 ± 0.006°
γ
76.589 ± 0.006°
Cell volume
4674.5 ± 0.7 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 2 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
0.2553
Residual factor for significantly intense reflections
0.151
Weighted residual factors for significantly intense reflections
0.2726
Weighted residual factors for all reflections included in the refinement
0.331
Goodness-of-fit parameter for all reflections included in the refinement
