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Information card for entry 7219426
Preview
| Coordinates | 7219426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | dimer complex of 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgNO3 |
|---|---|
| Chemical name | dimer complex of 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgNO3 |
| Formula | C16 H26 Ag2 N8 O6 S2 |
| Calculated formula | C16 H26 Ag2 N8 O6 S2 |
| SMILES | [Ag]1([S](C)c2[n]([Ag]3)c(C)cc(n2)N(C)C)([S](c2nc(N(C)C)cc([n]32)C)C)(ON(=O)=[O]1)ON(=O)=O |
| Title of publication | Silver mediated duplex-type complexes of pyrimidinophanes and their acyclic counterparts |
| Authors of publication | Podyachev, Sergey Nicolaevich; Masliy, Alexey Nicolaevich; Semenov, Vyacheslav Engelsovich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Voronina, Julia Konstantinovna; Ivanov, Vladimir Timofeevich; Kuznetsov, Andrey Mikhailovich; Gogolashvili, Edward Lavrentievich; Reznik, Vladimir Savich; Konovalov, Alexander Ivanovich |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 10.094 ± 0.003 Å |
| b | 20.188 ± 0.006 Å |
| c | 12.319 ± 0.004 Å |
| α | 90° |
| β | 99.246 ± 0.003° |
| γ | 90° |
| Cell volume | 2477.7 ± 1.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180525 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94. |
7219426.cif |
| 130209 | 2015-01-29 | cif/ Adding structures of 7219424, 7219425, 7219426 via cif-deposit CGI script. |
7219426.cif |
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Users of the data should acknowledge the original authors of the
structural data.