Multiple N—H···NC, C—H···NC and nitrile···π interactions in 4,4'-bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide): structure determination and DFT calculations of anion···π cation interaction energies
Authors of publication
Setifi, Fatima; Geiger, David K.; Abdul Razak, Ibrahim; Setifi, Zouaoui
Journal of publication
Acta Crystallographica Section C
Year of publication
2015
Journal volume
71
Journal issue
8
a
35.847 ± 0.003 Å
b
7.3242 ± 0.0005 Å
c
22.995 ± 0.002 Å
α
90°
β
117.882 ± 0.003°
γ
90°
Cell volume
5336.5 ± 0.8 Å3
Cell temperature
294 ± 2 K
Ambient diffraction temperature
294 ± 2 K
Number of distinct elements
4
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
0.0562
Residual factor for significantly intense reflections
0.0384
Weighted residual factors for significantly intense reflections
0.104
Weighted residual factors for all reflections included in the refinement
0.1183
Goodness-of-fit parameter for all reflections included in the refinement