Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations
Authors of publication
Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.
Journal of publication
Acta Crystallographica Section E
Year of publication
2018
Journal volume
74
Journal issue
4
Pages of publication
505 - 513
a
7.9458 ± 0.0004 Å
b
5.5586 ± 0.0002 Å
c
20.6066 ± 0.0009 Å
α
90°
β
97.647 ± 0.002°
γ
90°
Cell volume
902.05 ± 0.07 Å3
Cell temperature
150 ± 2 K
Ambient diffraction temperature
150 ± 2 K
Number of distinct elements
4
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.0506
Residual factor for significantly intense reflections
0.0454
Weighted residual factors for significantly intense reflections
0.1284
Weighted residual factors for all reflections included in the refinement
0.1341
Goodness-of-fit parameter for all reflections included in the refinement