Information card for entry 2236069
| Chemical name |
Hexakis(propylammonium) benzene-1,2,4,5-tetracarboxylate 2,5-dicarboxybenzene-1,4-carboxylate tetrahydrate |
| Formula |
C38 H74 N6 O20 |
| Calculated formula |
C38 H74 N6 O20 |
| Title of publication |
Hexakis(propylammonium) benzene-1,2,4,5-tetracarboxylate 2,5-dicarboxybenzene-1,4-carboxylate tetrahydrate |
| Authors of publication |
Khorasani, Sanaz; Fernandes, Manuel A. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2012 |
| Journal volume |
68 |
| Journal issue |
9 |
| Pages of publication |
o2807 |
| a |
9.9826 ± 0.0002 Å |
| b |
11.0994 ± 0.0002 Å |
| c |
12.4453 ± 0.0002 Å |
| α |
107.461 ± 0.001° |
| β |
90.062 ± 0.001° |
| γ |
105.721 ± 0.001° |
| Cell volume |
1261.1 ± 0.04 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0529 |
| Residual factor for significantly intense reflections |
0.0401 |
| Weighted residual factors for significantly intense reflections |
0.1118 |
| Weighted residual factors for all reflections included in the refinement |
0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.102 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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https://www.crystallography.net/2236069.html
