Information card for entry 2217898
Chemical name |
2,4,6-Triamino-1,3,5-triazine-1,3-diium aquapentafluoridoaluminate |
Formula |
C3 H10 Al F5 N6 O |
Calculated formula |
C3 H10 Al F5 N6 O |
SMILES |
[Al](F)(F)(F)(F)(F)[OH2].n1c([nH+]c([nH+]c1N)N)N |
Title of publication |
2,4,6-Triamino-1,3,5-triazine-1,3-diium aquapentafluoridoaluminate |
Authors of publication |
Cadiau, A.; Hemon-Ribaud, A.; Leblanc, M.; Maisonneuve, V. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
4 |
Pages of publication |
m523 - m524 |
a |
7.571 ± 0.002 Å |
b |
8.823 ± 0.002 Å |
c |
13.484 ± 0.005 Å |
α |
90° |
β |
105.53 ± 0.03° |
γ |
90° |
Cell volume |
867.8 ± 0.5 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
6 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.1346 |
Residual factor for significantly intense reflections |
0.0538 |
Weighted residual factors for significantly intense reflections |
0.1083 |
Weighted residual factors for all reflections included in the refinement |
0.133 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.036 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2217898.html