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Information card for entry 7219424
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Coordinates | 7219424.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgPic (silver picrate) |
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Chemical name | 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgPic (silver picrate) |
Formula | C22 H28 Ag N9 O7 S2 |
Calculated formula | C22 H28 Ag N9 O7 S2 |
SMILES | c1([n](c(cc(n1)N(C)C)C)[Ag][n]1c(nc(cc1C)N(C)C)SC)SC.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=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 | 10.0321 ± 0.0012 Å |
b | 10.1496 ± 0.0012 Å |
c | 15.7844 ± 0.0019 Å |
α | 100.504 ± 0.001° |
β | 94.365 ± 0.001° |
γ | 117.014 ± 0.001° |
Cell volume | 1384.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0391 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0832 |
Weighted residual factors for all reflections included in the refinement | 0.0864 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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. |
7219424.cif |
130209 | 2015-01-29 | cif/ Adding structures of 7219424, 7219425, 7219426 via cif-deposit CGI script. |
7219424.cif |
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Users of the data should acknowledge the original authors of the
structural data.