Information card for entry 2217234
Chemical name |
Diaquabis(1<i>H</i>-1,2,4-triazole-3-carboxylato)cadmium(II) |
Formula |
C6 H8 Cd N6 O6 |
Calculated formula |
C6 H8 Cd N6 O6 |
SMILES |
C1(=O)c2n[nH]c[n]2[Cd]2([n]3c(C(=O)O2)n[nH]c3)(O1)([OH2])[OH2] |
Title of publication |
Diaquabis(1<i>H</i>-1,2,4-triazole-3-carboxylato)cadmium(II) |
Authors of publication |
Zhu, Jie; Yin, Xian-Hong; Feng, Yu; Hu, Fei-Long; Zhuang, Yue; Lin, Cui-Wu |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
1 |
Pages of publication |
m119 - m119 |
a |
9.2722 ± 0.0016 Å |
b |
8.8318 ± 0.0014 Å |
c |
6.9714 ± 0.0017 Å |
α |
90° |
β |
92.23 ± 0.001° |
γ |
90° |
Cell volume |
570.46 ± 0.19 Å3 |
Cell temperature |
298 ± 1 K |
Ambient diffraction temperature |
298 ± 1 K |
Number of distinct elements |
5 |
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 |
0.0325 |
Residual factor for significantly intense reflections |
0.0269 |
Weighted residual factors for significantly intense reflections |
0.0705 |
Weighted residual factors for all reflections included in the refinement |
0.0768 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.085 |
Diffraction radiation wavelength |
0.71073 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/2217234.html