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Information card for entry 4301454
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Coordinates | 4301454.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Guanidinium 4,5-dicyano-1,2,3-triazolate |
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Chemical name | Guanidinium 4,5-dicyano-1,2,3-triazolate |
Formula | C5 H6 N8 |
Calculated formula | C5 H6 N8 |
SMILES | C(=[NH2+])(N)N.[n-]1nnc(C#N)c1C#N |
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 | 12.6 ± 0.0011 Å |
b | 17.1138 ± 0.0015 Å |
c | 12.0952 ± 0.0009 Å |
α | 90° |
β | 106.098 ± 0.007° |
γ | 90° |
Cell volume | 2505.9 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.069 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1004 |
Weighted residual factors for all reflections included in the refinement | 0.1138 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179052 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/14. |
4301454.cif |
120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301454.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301454.cif |
1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301454.cif |
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Users of the data should acknowledge the original authors of the
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