Information card for entry 2209884
Chemical name |
Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(pyridine-2,6-dicarboxylato-κ^3^O,N,O')cadmate(II) |
Formula |
C20 H20 Cd N14 O8 |
Calculated formula |
C20 H20 Cd N14 O8 |
SMILES |
[Cd]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.[nH+]1c(nc(nc1N)N)N.n1c(nc([nH+]c1N)N)N |
Title of publication |
Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cadmate(II) |
Authors of publication |
Aghabozorg, Hossein; Aghajani, Zahra; Sharif, Mahboubeh A. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
8 |
Pages of publication |
m1930 - m1932 |
a |
10.552 ± 0.002 Å |
b |
10.564 ± 0.0019 Å |
c |
22.238 ± 0.004 Å |
α |
90° |
β |
100.803 ± 0.016° |
γ |
90° |
Cell volume |
2435 ± 0.8 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 2 K |
Number of distinct elements |
5 |
Space group number |
9 |
Hermann-Mauguin space group symbol |
C 1 c 1 |
Hall space group symbol |
C -2yc |
Residual factor for all reflections |
0.034 |
Residual factor for significantly intense reflections |
0.0269 |
Weighted residual factors for significantly intense reflections |
0.068 |
Weighted residual factors for all reflections included in the refinement |
0.0691 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.001 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2209884.html