Information card for entry 2217868
Chemical name |
Bis(piperazinediium) benzene-1,2,4,5-tetracarboxylate hexahydrate |
Formula |
C18 H38 N4 O14 |
Calculated formula |
C18 H38 N4 O14 |
Title of publication |
Bis(piperazinediium) benzene-1,2,4,5-tetracarboxylate hexahydrate |
Authors of publication |
Aghabozorg, Hossein; Manteghi, Faranak; Ghadermazi, Mohammad |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
4 |
Pages of publication |
o740 |
a |
6.742 ± 0.0004 Å |
b |
12.4636 ± 0.0007 Å |
c |
16.01 ± 0.0009 Å |
α |
99.092 ± 0.001° |
β |
90.347 ± 0.001° |
γ |
105.528 ± 0.001° |
Cell volume |
1278.27 ± 0.13 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 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 |
0.0709 |
Residual factor for significantly intense reflections |
0.0589 |
Weighted residual factors for significantly intense reflections |
0.1483 |
Weighted residual factors for all reflections included in the refinement |
0.1592 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
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/2217868.html