Information card for entry 2239844
Chemical name |
4,4'-Bipyridine-1,1'-diium naphthalene-2,6-disulfonate dihydrate |
Formula |
C20 H20 N2 O8 S2 |
Calculated formula |
C20 H20 N2 O8 S2 |
SMILES |
c1(S(=O)(=O)[O-])ccc2c(ccc(c2)S(=O)(=O)[O-])c1.c1(cc[nH+]cc1)c1cc[nH+]cc1.O.O |
Title of publication |
Crystal structure of 4,4'-bipyridine-1,1'-diium naphthalene-2,6-disulfonate dihydrate |
Authors of publication |
Çevik, Sabri; Sarı, Musa; Sarı, Murat; Tunç, Tuncay |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2014 |
Journal volume |
70 |
Journal issue |
9 |
Pages of publication |
o989 - o990 |
a |
7.4022 ± 0.0002 Å |
b |
10.939 ± 0.0003 Å |
c |
12.65 ± 0.0004 Å |
α |
90° |
β |
99.908 ± 0.001° |
γ |
90° |
Cell volume |
1009.03 ± 0.05 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
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 |
0.0379 |
Residual factor for significantly intense reflections |
0.0349 |
Weighted residual factors for significantly intense reflections |
0.0997 |
Weighted residual factors for all reflections included in the refinement |
0.1032 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2239844.html