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
11.2829 ± 0.0004 Å
b
12.5029 ± 0.0005 Å
c
23.4257 ± 0.001 Å
α
90°
β
90.718 ± 0.002°
γ
90°
Cell volume
3304.4 ± 0.2 Å3
Cell temperature
100 K
Ambient diffraction temperature
100 K
Number of distinct elements
4
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Residual factor for all reflections
0.0942
Residual factor for significantly intense reflections
0.0474
Weighted residual factors for significantly intense reflections
0.0952
Weighted residual factors for all reflections included in the refinement
0.112
Goodness-of-fit parameter for all reflections included in the refinement
