Information card for entry 4301455
Common name |
Aminoguanidinium 4,5-dicyano-1,2,3-triazolate |
Chemical name |
Aminoguanidinium 4,5-dicyano-1,2,3-triazolate |
Formula |
C5 H7 N9 |
Calculated formula |
C5 H7 N9 |
SMILES |
[n-]1c(C#N)c(nn1)C#N.[NH2+]=C(N)NN |
Title of publication |
Synthesis and Characterization of 4,5-Dicyano-2H-1,2,3-triazole and Its Sodium, Ammonium, and Guanidinium Salts |
Authors of publication |
Margaret-Jane Crawford; Konstantin Karaghiosoff; Thomas M. Klapötke; Franz A. Martin |
Journal of publication |
Inorganic Chemistry |
Year of publication |
2009 |
Journal volume |
48 |
Pages of publication |
1731 - 1743 |
a |
7.0921 ± 0.0009 Å |
b |
7.2893 ± 0.0009 Å |
c |
8.8671 ± 0.0011 Å |
α |
90° |
β |
105.141 ± 0.011° |
γ |
90° |
Cell volume |
442.48 ± 0.1 Å3 |
Cell temperature |
200 ± 2 K |
Ambient diffraction temperature |
200 ± 2 K |
Number of distinct elements |
3 |
Space group number |
7 |
Hermann-Mauguin space group symbol |
P 1 a 1 |
Hall space group symbol |
P -2ya |
Residual factor for all reflections |
0.0335 |
Residual factor for significantly intense reflections |
0.0313 |
Weighted residual factors for significantly intense reflections |
0.0779 |
Weighted residual factors for all reflections included in the refinement |
0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.076 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/4301455.html