Information card for entry 4509940
| Formula |
C18 H14 Br4 N2 O6 |
| Calculated formula |
C18 H14 Br4 N2 O6 |
| SMILES |
c1(c(Br)c(c(c(c1C(=O)[O-])Br)Br)C(=O)[O-])Br.c1cc(cc[nH+]1)c1cc[nH+]cc1.O.O |
| Title of publication |
Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect |
| Authors of publication |
Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2014 |
| Journal volume |
14 |
| Journal issue |
1 |
| Pages of publication |
207 |
| a |
6.4938 ± 0.0007 Å |
| b |
9.2279 ± 0.0009 Å |
| c |
9.9675 ± 0.001 Å |
| α |
64.0531 ± 0.001° |
| β |
85.7704 ± 0.0013° |
| γ |
73.6886 ± 0.0013° |
| Cell volume |
514.63 ± 0.09 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| RFsqd |
0.15799 |
| Goodness-of-fit parameter for all reflections |
4.8 |
| Method of determination |
powder diffraction |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/4509940.html
