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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) |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/22. |
2232280.cif 2232280.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232280.cif 2232280.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232280.cif 2232280.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232280.cif 2232280.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232280.cif 2232280.hkl |
| 30935 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232280 via cif-deposit CGI script. |
2232280.cif |
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Users of the data should acknowledge the original authors of the
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