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Information card for entry 2232280
Preview
Coordinates | 2232280.cif |
---|---|
Structure factors | 2232280.hkl |
Original IUCr paper | HTML |
Chemical name | Tris(3-amino-5,6-dimethyl-1,2,4-triazine-κ<i>N</i>^2^)silver(I) trifluromethanesulfonate‒3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
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Formula | C21 H32 Ag F3 N16 O3 S |
Calculated formula | C21 H32 Ag F3 N16 O3 S |
SMILES | [Ag]([n]1nc(c(nc1N)C)C)([n]1nc(c(nc1N)C)C)[n]1nc(c(nc1N)C)C.FC(F)(F)S(=O)(=O)[O-].n1nc(nc(c1C)C)N |
Title of publication | Tris(3-amino-5,6-dimethyl-1,2,4-triazine-κ<i>N</i>^2^)silver(I) trifluromethanesulfonate‒3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
Authors of publication | Jiang, Yu-Hang; Cui, Li-Na; Huang, Xu; Jin, Qiong-Hua; Zhang, Cun-Lin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | m1526 - m1527 |
a | 13.9357 ± 0.0014 Å |
b | 15.1693 ± 0.0015 Å |
c | 16.2257 ± 0.0017 Å |
α | 76.735 ± 0.001° |
β | 72.565 ± 0.001° |
γ | 81.201 ± 0.002° |
Cell volume | 3172 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1562 |
Residual factor for significantly intense reflections | 0.0687 |
Weighted residual factors for significantly intense reflections | 0.1493 |
Weighted residual factors for all reflections included in the refinement | 0.1917 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2232280.html
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Users of the data should acknowledge the original authors of the
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