Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution
Authors of publication
Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.
Journal of publication
CrystEngComm
Year of publication
2018
Journal volume
20
Journal issue
22
Pages of publication
3074
a
14.6269 ± 0.0004 Å
b
18.1672 ± 0.0005 Å
c
20.9527 ± 0.0006 Å
α
93.416 ± 0.002°
β
104.461 ± 0.003°
γ
107.5 ± 0.003°
Cell volume
5086.9 ± 0.3 Å3
Cell temperature
150 ± 0.14 K
Ambient diffraction temperature
150 ± 0.14 K
Number of distinct elements
4
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0524
Residual factor for significantly intense reflections
0.0396
Weighted residual factors for significantly intense reflections
0.0997
Weighted residual factors for all reflections included in the refinement
0.1083
Goodness-of-fit parameter for all reflections included in the refinement
